data_2cs5_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 2cs5 _Structure_validation_residue.Date_analyzed 2016-10-07 loop_ _Residue_analysis_software.Software_ID _Residue_analysis_software.Software_label _Residue_analysis_software.Method_ID _Residue_analysis_software.Method_label _Residue_analysis_software.Entry_ID _Residue_analysis_software.Structure_validation_oneline_list_ID 1 MolProbity . . ? 1 2 CYRANGE . . ? 1 stop_ loop_ _Residue_analysis.ID _Residue_analysis.PDB_model_num _Residue_analysis.Hydrogen_positions _Residue_analysis.MolProbity_flips _Residue_analysis.Cyrange_core_flag _Residue_analysis.Two_letter_chain_ID _Residue_analysis.PDB_strand_ID _Residue_analysis.PDB_residue_no _Residue_analysis.PDB_ins_code _Residue_analysis.PDB_residue_name _Residue_analysis.Assembly_ID _Residue_analysis.Entity_assembly_ID _Residue_analysis.Entity_ID _Residue_analysis.Comp_ID _Residue_analysis.Comp_index_ID _Residue_analysis.Clash_value _Residue_analysis.Clash_source_PDB_atom_name _Residue_analysis.Clash_destination_PDB_atom_name _Residue_analysis.Clash_destination_PDB_strand_ID _Residue_analysis.Clash_destination_PDB_residue_no _Residue_analysis.Clash_destination_PDB_ins_code _Residue_analysis.Clash_destination_PDB_residue_name _Residue_analysis.Cbeta_deviation_value _Residue_analysis.Rotamer_score _Residue_analysis.Rotamer_name _Residue_analysis.Ramachandran_phi _Residue_analysis.Ramachandran_psi _Residue_analysis.Ramachandran_score _Residue_analysis.Ramachandran_evaluation _Residue_analysis.Ramachandran_type _Residue_analysis.Bond_outlier_count _Residue_analysis.Worst_bond _Residue_analysis.Worst_bond_value _Residue_analysis.Worst_bond_sigma _Residue_analysis.Angle_outlier_count _Residue_analysis.Worst_angle _Residue_analysis.Worst_angle_value _Residue_analysis.Worst_angle_sigma _Residue_analysis.RNA_phosphate_perpendicular_outlier _Residue_analysis.RNA_suitness_score _Residue_analysis.RNA_suite_conformer _Residue_analysis.RNA_suite_triage _Residue_analysis.Max_b_factor _Residue_analysis.Tau_angle _Residue_analysis.Omega_dihedral _Residue_analysis.Disulfide_chi1 _Residue_analysis.Disulfide_chi2 _Residue_analysis.Disulfide_chi3 _Residue_analysis.Disulfide_ss_angle _Residue_analysis.Disulfide_ss _Residue_analysis.Disulfide_ss_angle_prime _Residue_analysis.Disulfide_chi2prime _Residue_analysis.Disulfide_chi1prime _Residue_analysis.Outlier_count_separate_geometry _Residue_analysis.Outlier_count _Residue_analysis.Entry_ID _Residue_analysis.Structure_validation_residue_list_ID . 001 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.3 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.869 0.366 . . . . 0.0 110.948 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.4 t -82.6 130.5 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 tp -104.47 128.38 52.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.7 mm -96.57 120.65 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 -113.0 118.88 36.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.8 ptp -156.85 169.25 25.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.36 150.8 65.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.571 0.7 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 154.15 67.98 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.625 2.217 . . . . 0.0 112.359 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -74.45 174.46 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -45.1 -55.27 5.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -74.27 -28.77 61.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.34 43.6 1.58 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 28' ' ' ARG . 19.9 mtm105 -124.63 144.18 50.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.886 0.374 . . . . 0.0 110.864 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.418 ' CE2' ' HG ' ' A' ' 98' ' ' LEU . 34.1 m-85 -105.44 178.14 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.425 ' HA3' ' CG2' ' A' ' 52' ' ' THR . . . -121.48 37.94 2.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 26.0 p90 -139.03 126.87 22.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -103.7 151.86 22.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.423 ' HB ' ' CG1' ' A' ' 43' ' ' VAL . 32.7 m -127.16 172.52 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.8 pttt -153.44 148.99 27.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.44 -174.84 27.54 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.473 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.99 170.7 12.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.5 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -42.53 -36.62 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 0.0 110.944 -179.786 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -53.22 -43.09 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 41' ' ' MET . 31.1 mm-40 -108.7 31.06 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 39' ' ' GLN . 0.4 OUTLIER 32.8 36.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 39' ' ' GLN . 16.9 ptm -130.07 152.67 80.43 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.836 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 154.02 68.25 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.423 ' CG1' ' HB ' ' A' ' 33' ' ' VAL . 21.9 t -89.23 106.48 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.97 140.68 43.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.446 HG13 ' N ' ' A' ' 46' ' ' SER . 96.5 t -50.54 143.19 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.446 ' N ' HG13 ' A' ' 45' ' ' VAL . 68.1 p -107.24 -52.42 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.437 ' HD2' ' N ' ' A' ' 48' ' ' VAL . 2.9 tmm_? -145.7 144.11 30.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.437 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 96.8 t -131.12 117.04 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.15 152.6 46.18 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.558 0.694 . . . . 0.0 111.114 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -169.47 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.326 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 40.35 38.7 1.45 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.425 ' CG2' ' HA3' ' A' ' 30' ' ' GLY . 42.1 p -128.3 153.08 78.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.626 0.727 . . . . 0.0 111.132 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 2.83 3.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -110.42 -10.06 14.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -109.82 -21.8 12.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.2 mt -93.97 -27.68 16.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 18.8 p -67.92 165.92 16.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.53 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 84.1 t -134.77 137.39 27.32 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.594 0.712 . . . . 0.0 111.151 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.81 135.68 35.14 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.386 0.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -55.83 140.22 43.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.1 tp -89.66 93.05 9.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -88.57 168.23 12.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.3 138.48 58.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.72 -32.7 6.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -52.92 101.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.747 0.308 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -79.65 122.1 26.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.967 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 50.1 t -78.58 115.32 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.8 t -87.75 -35.45 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.2 mt -155.87 170.15 22.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 73' ' ' ARG . 68.8 mt -135.53 133.13 52.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.9 p30 38.35 30.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . 77.3 42.41 18.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 70' ' ' ILE . 23.5 mmt180 -135.51 143.04 45.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.09 88.95 5.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.808 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.497 ' O ' ' CD1' ' A' ' 75' ' ' ILE . 2.5 pp -87.22 26.43 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.03 -39.01 17.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -87.51 26.23 1.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -124.93 125.84 44.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.818 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 80' ' ' HIS . 37.4 p -67.44 155.85 38.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 79' ' ' THR . 55.5 t60 -35.66 -61.47 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -44.8 -48.27 10.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -64.02 -58.11 7.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.4 t -47.44 -57.11 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 77.3 t -47.35 -43.25 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.5 mt -69.54 -44.51 70.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -45.24 -61.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 mt -46.89 -50.08 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 89' ' ' ALA . 22.9 mttm -54.62 -49.54 70.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 88' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.087 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.855 0.359 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.418 ' HG ' ' CE2' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -91.43 104.49 17.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 10.7 mtt -109.72 132.79 53.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.9 mt -128.72 114.66 16.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.4 tp -84.11 101.61 11.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.6 m -110.28 144.66 17.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -94.25 136.69 23.25 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.648 0.737 . . . . 0.0 110.813 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.853 0.359 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.442 ' CG1' ' HG3' ' A' ' 59' ' ' PRO . 96.8 t -102.75 129.97 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.1 tp -101.02 137.61 39.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.4 mm -111.12 120.43 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.2 mtm180 -115.07 127.93 55.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.7 ptp -158.38 157.0 31.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.402 ' C ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -120.91 148.52 48.82 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.598 0.713 . . . . 0.0 110.866 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 139.9 41.15 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.03 -176.35 1.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -56.45 -41.35 76.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -74.35 -16.19 60.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.51 45.94 12.92 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -135.85 147.72 48.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.558 ' CE2' HD21 ' A' ' 98' ' ' LEU . 69.1 m-85 -100.85 169.81 8.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.07 50.53 0.8 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.443 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 11.3 p90 -150.25 124.47 9.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -99.63 151.4 21.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.1 m -126.32 150.94 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -140.7 138.35 34.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.442 ' HA2' ' CG ' ' A' ' 41' ' ' MET . . . 116.96 165.75 13.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.453 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.55 -161.36 32.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -79.24 -41.24 28.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.839 0.352 . . . . 0.0 110.928 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -63.95 -36.1 82.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' LYS . 14.7 mm100 -92.21 11.65 24.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' GLN . 0.5 OUTLIER 34.86 53.4 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.442 ' CG ' ' HA2' ' A' ' 35' ' ' GLY . 13.3 ptm -148.84 152.76 37.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.59 0.71 . . . . 0.0 110.868 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 153.69 68.35 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.249 . . . . 0.0 112.315 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.0 t -87.57 106.02 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mp -121.96 141.88 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.448 ' CG1' ' CG2' ' A' ' 48' ' ' VAL . 66.7 t -50.66 102.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.6 t -55.4 -65.84 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 tpt85 -142.99 152.73 42.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.448 ' CG2' ' CG1' ' A' ' 45' ' ' VAL . 47.7 t -134.86 125.17 45.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.77 151.11 39.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.604 0.716 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 179.1 3.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 44.99 46.41 9.49 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.7 p -131.13 154.56 82.03 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.579 0.704 . . . . 0.0 111.161 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 0.42 5.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.734 2.29 . . . . 0.0 112.36 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.13 -16.04 14.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -102.09 -58.08 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.2 mt -53.62 -16.36 1.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 15.0 p -69.6 170.28 11.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.503 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 5.3 p -141.29 131.66 13.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.561 0.696 . . . . 0.0 111.175 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.3 Cg_endo -69.82 134.24 28.84 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.309 0.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -45.61 142.81 2.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.0 tp -91.36 85.18 5.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -89.64 146.66 24.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.0 mp0 -45.66 158.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 66' ' ' GLN . . . 91.89 -38.43 3.2 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -55.19 85.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.764 0.316 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 64' ' ' GLY . 39.7 tt0 -54.4 150.83 8.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.1 t -102.36 105.49 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.6 t -73.98 -50.24 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.5 mt -147.07 136.36 22.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 83.1 mt -106.13 126.09 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.9 m120 48.58 26.11 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 75.37 35.11 48.88 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -130.55 151.79 50.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.822 0.344 . . . . 0.0 110.846 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.408 ' O ' ' CD2' ' A' ' 78' ' ' HIS . 25.9 p-10 -80.32 120.07 23.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.7 pp -119.55 7.56 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.14 -47.79 55.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.141 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.68 -30.41 65.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.837 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.408 ' CD2' ' O ' ' A' ' 74' ' ' ASP . 42.5 m-70 -68.97 140.13 55.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 80' ' ' HIS . 62.0 p -76.08 156.8 33.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.432 ' CD2' ' C ' ' A' ' 80' ' ' HIS . 4.3 t60 -36.29 -62.42 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -46.93 -55.89 7.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.463 ' HA ' ' NE2' ' A' ' 82' ' ' GLN . 8.3 mm-40 -50.36 -60.32 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.0 t -45.7 -54.93 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.4 t -50.9 -38.77 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.3 mt -69.4 -50.53 45.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -43.99 -57.2 3.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 72.0 mt -47.61 -49.84 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -55.98 -44.66 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.849 . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.834 0.349 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.558 HD21 ' CE2' ' A' ' 29' ' ' PHE . 10.3 tp -99.03 130.64 45.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 27.0 mtp -129.49 126.27 38.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.0 mt -122.62 123.51 41.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.0 tp -90.87 101.87 14.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.7 m -111.81 163.68 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.5 ttm-85 -104.92 137.03 19.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.612 0.72 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.14 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.81 0.338 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.0 t -88.22 145.65 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.3 tp -121.92 141.02 51.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.426 HG21 ' N ' ' A' ' 20' ' ' ARG . 21.5 mm -113.15 144.82 20.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.426 ' N ' HG21 ' A' ' 19' ' ' ILE . 56.1 mtm180 -138.01 123.77 19.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.5 ptp -160.55 160.68 32.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.93 144.08 36.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.563 0.697 . . . . 0.0 110.927 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . 0.473 ' HD3' ' CZ ' ' A' ' 29' ' ' PHE . 54.2 Cg_endo -69.71 89.14 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.691 2.261 . . . . 0.0 112.356 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' GLU . 27.1 t70 -122.3 -71.21 0.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 24' ' ' ASP . 15.1 mp0 -35.53 -60.03 0.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -124.38 19.14 8.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.44 23.66 35.58 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -155.44 154.34 31.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.473 ' CZ ' ' HD3' ' A' ' 23' ' ' PRO . 26.2 m-85 -89.23 132.9 34.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.41 73.79 1.84 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.524 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.459 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 7.5 p90 -158.5 128.01 5.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -102.6 166.01 10.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.9 m -140.38 168.89 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -153.98 171.79 18.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.8 -154.59 34.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 130.23 169.0 12.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -54.36 -21.33 9.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.924 0.392 . . . . 0.0 110.946 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -65.28 -38.88 91.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -108.22 25.07 12.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.4 39.58 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.6 ptm -131.18 151.96 79.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.559 0.695 . . . . 0.0 110.844 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 155.93 64.64 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.0 t -87.93 107.56 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 mp -117.65 141.45 36.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 78.1 t -51.91 128.27 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.175 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.3 t -82.64 -63.29 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -143.38 163.79 32.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.1 t -140.4 117.36 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.83 149.81 60.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.627 0.727 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 175.4 8.15 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 47.12 49.03 19.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.2 p -131.86 155.02 81.9 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.721 . . . . 0.0 111.159 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 2.72 3.26 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.668 2.245 . . . . 0.0 112.33 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.55 -18.58 14.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.091 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -97.14 -51.2 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.06 -22.04 66.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.7 p -64.72 161.95 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.456 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 52.5 t -124.93 125.05 25.43 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.678 0.751 . . . . 0.0 111.092 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.456 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.3 Cg_endo -69.8 179.43 22.41 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.337 -0.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -89.44 121.83 32.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.0 tp -69.58 94.61 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -99.88 163.06 12.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.57 150.18 36.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.65 -39.58 2.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -51.98 105.07 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.745 0.307 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -72.61 117.6 14.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.8 t -69.11 108.6 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.7 t -83.01 -54.74 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.2 mt -140.99 143.24 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 94.9 mt -111.48 113.39 44.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 58.86 45.58 15.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.21 33.09 57.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.426 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -127.91 143.78 51.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.807 0.337 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -80.03 109.41 14.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.6 pp -113.71 18.04 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.75 -18.39 60.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -96.2 1.76 52.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -96.57 148.08 23.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 80' ' ' HIS . 34.4 p -88.46 156.24 19.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.495 ' C ' ' CD2' ' A' ' 80' ' ' HIS . 2.3 t60 -35.09 -55.45 0.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -56.17 -59.57 4.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -49.83 -63.11 1.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.9 t -40.35 -55.2 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.4 t -47.42 -45.6 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.9 mp -71.58 -32.5 68.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -57.94 -42.61 85.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.0 mt -67.84 -37.48 78.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.08 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -57.32 -44.41 84.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.831 . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.936 0.398 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.464 ' HG ' ' N ' ' A' ' 99' ' ' MET . 0.1 OUTLIER -92.53 153.87 18.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.464 ' N ' ' HG ' ' A' ' 98' ' ' LEU . 6.2 mtt -136.91 141.61 42.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.4 mt -124.91 113.69 18.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.3 tp -84.64 101.12 11.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.3 m -105.42 169.06 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.1 ttt85 -107.95 136.19 19.77 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.402 ' CD2' ' HG3' ' A' ' 103' ' ' ARG . 29.9 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.852 0.358 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.1 t -96.66 148.66 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 tp -124.23 142.09 51.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.8 mm -105.14 134.36 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.7 mtm-85 -133.59 126.5 31.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -154.6 174.46 14.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -125.33 148.93 62.69 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.573 0.701 . . . . 0.0 110.909 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 130.66 19.66 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.67 2.247 . . . . 0.0 112.324 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -52.45 -176.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -54.84 -59.92 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -67.42 -18.28 65.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.81 46.98 3.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.43 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -131.74 148.48 52.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -100.56 -177.87 3.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.425 ' HA3' ' CG2' ' A' ' 52' ' ' THR . . . -136.07 50.88 0.83 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 8.4 p90 -147.05 127.27 13.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -99.15 161.11 13.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.7 m -134.26 161.49 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -151.32 163.14 39.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.66 155.21 3.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.481 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -173.19 -156.46 13.03 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -74.4 -37.68 63.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.868 0.366 . . . . 0.0 110.938 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -63.11 -14.65 51.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -115.88 7.58 14.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt 52.98 27.63 5.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 17.5 ptm -129.16 152.58 79.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.545 0.688 . . . . 0.0 110.869 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.411 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 54.1 Cg_endo -69.71 156.97 62.09 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.67 2.247 . . . . 0.0 112.372 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.9 t -86.91 106.3 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.411 ' CD1' ' O ' ' A' ' 42' ' ' PRO . 4.1 mp -115.48 149.76 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 32.1 t -58.37 127.56 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 t -80.23 -62.24 1.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -144.88 155.41 43.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.9 t -139.53 113.73 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.47 151.0 71.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 111.067 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 167.64 23.86 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.656 2.238 . . . . 0.0 112.321 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.56 34.97 78.27 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.544 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.425 ' CG2' ' HA3' ' A' ' 30' ' ' GLY . 18.9 p -116.94 154.61 49.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.589 0.709 . . . . 0.0 111.132 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -3.29 11.74 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.4 -8.73 18.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -102.78 -50.94 3.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.95 -10.9 59.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.9 p -71.72 174.35 6.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.496 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 4.6 p -142.98 129.4 10.53 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.575 0.702 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.81 134.4 29.47 Favored 'Cis proline' 0 C--O 1.231 0.148 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.313 -0.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.5 ttt180 -52.64 122.84 9.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.0 tp -77.06 99.87 5.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -107.16 160.03 15.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -49.16 139.77 10.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.8 -33.66 6.16 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.31 90.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -69.42 119.35 13.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.5 t -78.7 125.66 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.3 t -98.28 -56.05 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.7 mt -137.95 139.87 39.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.0 mt -104.65 117.12 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 56.74 26.84 11.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.06 38.36 19.24 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -130.62 148.61 52.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -83.16 86.0 7.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.4 HD12 ' C ' ' A' ' 75' ' ' ILE . 2.7 pp -88.44 -17.69 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.67 -27.95 69.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -82.08 -7.11 59.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -101.58 149.41 24.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 81.2 p -64.9 162.82 15.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -55.72 -58.3 8.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -41.37 -65.8 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -44.62 -56.02 4.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 86' ' ' PHE . 20.0 t -44.74 -58.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 85.6 t -44.81 -44.81 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.9 mp -71.51 -25.31 62.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 83' ' ' VAL . 7.9 t80 -60.26 -57.55 12.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 22.9 mt -65.14 -35.83 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -57.08 -42.49 80.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.803 . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.914 0.388 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.0 tp -113.74 107.74 16.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 24.4 mtp -108.75 99.2 8.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.1 mt -103.61 124.61 49.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.0 tp -90.43 100.68 13.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 6.0 m -103.47 156.44 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.402 ' HG3' ' CD2' ' A' ' 16' ' ' LEU . 33.9 ttt180 -101.75 136.8 19.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 110.83 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.447 ' N ' HD21 ' A' ' 16' ' ' LEU . 4.5 mm? . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.855 0.36 . . . . 0.0 110.903 . . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.1 t -93.84 120.81 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.1 tp -97.56 133.19 42.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.4 mm -104.59 104.52 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -99.49 117.17 33.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.4 ptp -147.14 174.68 11.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -128.01 150.83 74.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.558 0.694 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 133.13 24.86 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.725 2.283 . . . . 0.0 112.36 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -49.84 179.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -53.45 -57.0 12.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -70.23 -20.73 63.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.67 43.82 1.9 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -126.19 156.33 40.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -113.07 179.13 4.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -131.72 65.04 0.6 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.475 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 8.0 p90 -165.23 128.41 2.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -104.81 164.54 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.2 m -134.16 162.74 38.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -152.51 137.92 17.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.58 -171.93 14.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.498 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.76 174.81 13.53 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.544 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -53.82 -33.31 55.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.875 0.369 . . . . 0.0 110.899 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -54.02 -34.1 59.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 40' ' ' LYS . 68.1 mt-30 -118.67 28.98 7.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.457 ' N ' ' HD3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER 35.3 41.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.9 ptm -137.2 151.93 72.62 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.563 0.697 . . . . 0.0 110.915 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.426 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 53.8 Cg_endo -69.79 142.37 47.62 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.329 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.2 t -79.99 108.16 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.426 ' CD1' ' O ' ' A' ' 42' ' ' PRO . 5.0 mp -116.07 148.74 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 71.4 t -52.65 124.22 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.4 t -77.71 -66.11 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 17.8 tpp85 -142.9 154.93 44.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.438 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 88.3 t -136.5 113.7 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.53 149.31 78.12 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 0.0 111.123 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 163.65 37.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.379 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 51.67 56.53 15.38 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 p -134.55 157.0 78.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.6 0.714 . . . . 0.0 111.143 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -0.39 6.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.709 2.273 . . . . 0.0 112.291 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.19 -14.13 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -102.49 -54.86 2.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.1 mt -58.88 -18.89 37.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.4 p -66.0 147.81 52.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.441 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 97.2 t -115.0 124.88 29.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.62 0.724 . . . . 0.0 111.127 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.441 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.76 163.81 80.87 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.737 -1.776 . . . . 0.0 112.358 -0.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -78.29 134.13 37.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.1 tp -90.12 99.76 12.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -108.11 160.15 16.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -52.09 132.38 32.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.64 -43.81 1.41 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.33 102.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -71.81 119.76 16.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.86 116.43 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.7 t -95.52 -54.87 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.0 mt -140.25 140.57 35.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 60.9 mt -99.35 123.7 52.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.4 p30 43.38 34.71 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.28 44.76 12.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.445 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -135.81 144.84 45.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 110.872 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.89 110.91 18.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.446 ' O ' ' CD1' ' A' ' 75' ' ' ILE . 2.8 pp -126.53 32.41 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -88.97 -41.81 12.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.074 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -73.36 -30.41 63.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -65.38 144.38 57.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 80' ' ' HIS . 59.3 p -78.23 151.96 32.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 79' ' ' THR . 44.4 t60 -36.66 -59.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -38.65 -61.59 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 83' ' ' VAL . 10.0 tm0? -49.01 -67.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 86' ' ' PHE . 58.1 t -37.18 -65.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 83' ' ' VAL . 69.2 t -35.96 -48.67 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.7 mp -70.27 -41.26 73.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 83' ' ' VAL . 3.1 t80 -44.87 -58.97 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.7 mt -54.34 -51.21 50.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -48.39 -48.0 37.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.09 179.832 . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.901 0.381 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.23 118.88 25.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.9 mtp -120.17 138.45 53.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.4 mt -136.39 132.71 35.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.6 tp -98.88 99.62 10.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 25.4 m -105.45 150.97 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -89.97 133.63 33.4 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.565 0.697 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.8 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.852 0.358 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.0 t -103.0 135.28 41.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.9 tp -109.25 140.86 42.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.7 mm -114.77 107.18 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -104.47 129.04 52.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.11 164.31 36.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.72 152.58 45.64 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.587 0.708 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 125.65 12.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.377 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -54.34 177.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -46.2 -48.63 17.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -83.98 -25.58 29.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.28 -33.64 3.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.444 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -49.66 128.51 17.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -78.33 -58.13 3.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 122.01 46.54 0.3 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.475 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -163.32 143.6 8.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.917 0.389 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -115.75 168.37 10.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.1 m -136.12 157.41 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -147.21 166.32 27.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.22 -142.15 17.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.52 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 112.0 161.75 16.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.523 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -41.51 -34.42 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.885 0.374 . . . . 0.0 110.912 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -55.18 -44.65 75.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -100.02 29.07 4.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt 39.21 32.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 19.7 ptm -132.81 150.93 77.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 110.875 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 158.42 57.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.368 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.1 t -76.45 105.22 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.1 mm -111.81 140.94 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.9 t -53.33 124.56 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -77.94 -63.94 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 16.7 tpt180 -146.13 151.71 38.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.441 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 57.6 t -137.68 107.8 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.7 143.46 71.6 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.639 0.733 . . . . 0.0 111.086 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 168.85 20.4 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.54 30.05 76.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.4 p -122.26 154.2 61.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.717 . . . . 0.0 111.119 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 1.03 4.82 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.64 2.227 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.96 -20.65 16.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.425 ' OD1' ' NE ' ' A' ' 60' ' ' ARG . 7.6 t70 -99.07 -61.62 1.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.9 mt -49.25 -18.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 9.1 p -64.81 166.57 8.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.467 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 2.1 p -135.92 125.2 15.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.731 . . . . 0.0 111.169 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.467 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 54.1 Cg_endo -69.78 133.69 26.66 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.35 -0.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.425 ' NE ' ' OD1' ' A' ' 55' ' ' ASP . 36.7 ttt180 -54.76 133.23 47.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.5 tp -76.17 100.43 5.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -103.77 162.39 13.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -57.7 141.27 49.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.65 -42.12 2.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -38.31 114.2 0.35 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.804 0.335 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -87.73 105.22 17.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.4 t -70.2 121.85 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.081 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.6 t -99.64 -46.07 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.417 ' CD2' ' HA ' ' A' ' 74' ' ' ASP . 76.1 mt -140.0 141.3 36.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.445 ' CD1' HG22 ' A' ' 75' ' ' ILE . 43.5 mt -105.95 102.66 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 m120 63.21 30.38 15.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.75 39.45 11.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.457 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -135.2 140.68 45.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.33 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.417 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 65.6 m-20 -67.63 115.36 7.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.445 HG22 ' CD1' ' A' ' 70' ' ' ILE . 2.5 pp -124.21 -10.63 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.1 -7.89 57.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -109.57 17.76 21.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -125.67 156.1 39.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 42.5 p -72.37 172.61 10.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.179 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -54.24 -52.73 60.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.92 -63.12 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -42.27 -61.09 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.1 t -44.76 -62.05 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.444 ' CG1' ' HD2' ' A' ' 88' ' ' LYS . 37.3 t -43.81 -56.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.31 -32.83 67.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -58.96 -48.87 79.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 9.8 mt -77.5 -49.41 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.109 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.444 ' HD2' ' CG1' ' A' ' 84' ' ' VAL . 29.9 mtpt -50.36 -51.3 47.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.48 142.38 47.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.7 mtt -129.39 141.35 51.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.6 mt -125.75 122.97 37.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.8 tp -90.0 102.98 15.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.1 m -106.86 155.19 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -97.8 135.91 21.37 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.563 0.697 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.373 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.4 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.853 0.359 . . . . 0.0 110.932 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.5 t -88.32 117.37 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.1 tp -93.95 142.11 27.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.3 mm -117.79 113.32 41.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -115.68 120.37 39.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.4 ptp -151.61 167.87 26.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -116.79 153.39 49.26 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.604 0.716 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 112.42 3.07 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -50.89 177.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -47.57 -54.46 11.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -84.77 29.37 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 45.21 48.86 10.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.525 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -126.48 113.58 17.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.357 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.534 ' CE1' HD21 ' A' ' 98' ' ' LEU . 38.7 m-85 -56.49 -56.79 16.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.33 46.32 0.64 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.488 ' CG ' HD23 ' A' ' 61' ' ' LEU . 14.5 p90 -165.34 152.14 10.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -117.19 161.55 19.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.8 m -128.61 159.56 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -147.94 146.93 29.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.89 163.41 39.18 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.5 165.94 27.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -42.66 -40.15 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.872 0.368 . . . . 0.0 110.923 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.21 -40.81 25.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 40' ' ' LYS . 30.6 mt-30 -106.55 35.35 3.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 39' ' ' GLN . 14.7 mmmt 34.41 41.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.3 ptm -141.52 153.12 65.12 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.482 0.658 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.469 ' HG2' ' CD1' ' A' ' 44' ' ' ILE . 53.8 Cg_endo -69.72 161.53 45.58 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.248 . . . . 0.0 112.324 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.0 t -96.37 98.17 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.155 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.469 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 4.7 mp -107.01 144.81 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.441 ' N ' HG21 ' A' ' 44' ' ' ILE . 97.3 t -50.32 136.96 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 t -93.36 -62.56 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.815 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 9.1 tpp180 -144.76 152.39 40.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.456 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 48.1 t -134.81 127.93 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.138 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.35 145.76 30.21 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.556 0.693 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 174.9 8.85 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.328 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.48 40.95 93.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.7 p -134.45 152.35 77.77 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.611 0.72 . . . . 0.0 111.075 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 2.75 3.26 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.65 2.234 . . . . 0.0 112.328 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -102.49 -19.73 14.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -98.39 -52.52 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.0 mt -58.67 -32.77 69.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 22.1 p -53.54 158.12 1.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.465 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 19.9 t -120.85 124.64 27.4 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.635 0.731 . . . . 0.0 111.086 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.1 Cg_endo -69.8 173.18 45.81 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.349 -0.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -85.7 119.63 26.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.488 HD23 ' CG ' ' A' ' 31' ' ' PHE . 33.9 tp -70.86 91.47 0.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -108.6 169.01 8.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -52.04 149.33 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.55 -44.15 1.53 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -44.37 106.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.748 0.308 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -85.98 114.65 23.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.3 t -69.08 127.16 30.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.5 t -105.13 -47.17 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.457 ' CD2' ' HA ' ' A' ' 74' ' ' ASP . 14.7 mt -149.92 146.55 27.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.414 ' CG1' HG21 ' A' ' 75' ' ' ILE . 7.3 mm -100.96 116.26 44.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 52.26 38.86 25.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 69.41 41.05 79.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.539 ' HD2' ' CZ ' ' A' ' 86' ' ' PHE . 23.4 ttm-85 -131.21 145.35 51.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.457 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 25.9 t0 -69.85 112.89 6.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.439 HD11 ' N ' ' A' ' 76' ' ' ALA . 2.6 pp -120.97 -31.95 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.439 ' N ' HD11 ' A' ' 75' ' ' ILE . . . -51.93 -16.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -99.85 21.09 13.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -128.65 161.08 30.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 80' ' ' HIS . 80.7 p -77.19 149.16 35.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.457 ' CD2' HG23 ' A' ' 84' ' ' VAL . 10.9 t-160 -35.14 -60.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -39.72 -61.11 0.87 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -41.41 -52.68 3.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.8 t -54.15 -51.66 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.457 HG23 ' CD2' ' A' ' 80' ' ' HIS . 97.7 t -57.36 -43.62 82.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.46 -41.8 93.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.539 ' CZ ' ' HD2' ' A' ' 73' ' ' ARG . 6.3 t80 -60.64 -59.23 5.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 67.9 mt -43.13 -65.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 89' ' ' ALA . 45.7 mttm -52.79 -51.69 59.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 88' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.88 0.371 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.534 HD21 ' CE1' ' A' ' 29' ' ' PHE . 16.7 tp -119.92 126.06 49.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 5.4 ttm -108.25 103.46 12.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.0 mt -102.46 153.56 19.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.2 tp -123.05 100.92 7.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.3 m -109.06 142.4 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.108 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -88.22 136.75 31.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.595 0.712 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.616 2.21 . . . . 0.0 112.337 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.858 0.361 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.432 ' CG1' HG23 ' A' ' 102' ' ' VAL . 10.2 p -91.45 149.63 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 tp -114.57 144.97 42.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.0 mm -116.73 123.68 71.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -121.64 136.98 54.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -162.8 156.42 20.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -118.05 149.53 45.71 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.629 0.728 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 149.31 66.72 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.2 -176.06 5.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.818 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -49.94 -53.12 28.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -67.01 -18.95 65.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.43 43.25 10.61 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.5 mtp85 -140.12 144.95 37.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.429 ' CE2' ' CD1' ' A' ' 98' ' ' LEU . 95.8 m-85 -96.42 -177.28 3.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -128.5 73.06 0.46 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.451 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 25.6 p90 -165.37 130.44 2.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.372 . . . . 0.0 110.903 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -107.71 158.2 17.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.8 m -132.93 166.63 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -151.42 134.28 15.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.53 157.15 18.72 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.28 -159.46 18.76 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.436 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.448 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 35.6 t80 -79.15 -30.11 43.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.923 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.444 ' HB3' ' NE2' ' A' ' 39' ' ' GLN . 2.3 t70 -71.03 -38.23 72.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.444 ' NE2' ' HB3' ' A' ' 38' ' ' ASP . 19.8 mp0 -88.63 15.11 8.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.4 mttt 42.5 29.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.7 ptm -130.44 152.41 80.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.561 0.696 . . . . 0.0 110.869 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.436 ' HG2' ' CD1' ' A' ' 44' ' ' ILE . 53.9 Cg_endo -69.77 157.32 60.77 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.332 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.5 t -91.61 99.85 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.436 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 4.2 mp -114.16 142.87 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 74.2 t -53.38 128.39 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.3 p -87.45 -63.77 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -138.72 149.63 45.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.1 t -135.77 119.38 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.07 146.21 48.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.576 0.703 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 177.91 5.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.736 2.291 . . . . 0.0 112.324 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.52 35.66 45.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.7 p -123.84 154.09 67.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.541 0.686 . . . . 0.0 111.151 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 2.45 3.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.378 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -110.97 -13.45 14.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -107.47 -8.82 16.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.0 mt -108.64 -29.19 8.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.1 p -54.1 155.6 3.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.441 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 38.3 t -117.84 124.72 28.56 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.721 . . . . 0.0 111.129 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.441 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.75 169.6 62.51 Favored 'Cis proline' 0 C--N 1.341 0.152 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.328 -0.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -83.7 139.21 32.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 24.7 tp -86.29 84.4 7.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -85.84 150.33 24.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -50.32 137.95 17.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 66' ' ' GLN . . . 111.53 -34.39 5.29 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.429 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -51.99 90.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.794 0.331 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 64' ' ' GLY . 10.9 tt0 -64.43 122.71 17.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.4 t -80.99 127.3 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.1 t -102.14 -34.46 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.452 ' CD2' ' HA ' ' A' ' 74' ' ' ASP . 72.1 mt -151.44 132.85 14.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 99.0 mt -104.61 105.54 18.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 61.96 40.06 12.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.841 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.57 46.82 82.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -137.82 125.75 22.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.341 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.452 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -61.95 88.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.9 pp -93.85 -15.74 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.29 -24.16 6.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.085 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 37' ' ' TYR . 8.4 mm-40 -95.72 -29.02 14.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -64.09 142.76 58.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.9 p -70.72 153.37 42.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 31.0 t60 -47.49 -47.05 27.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.26 -61.94 1.92 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 83' ' ' VAL . 47.1 mm-40 -54.85 -63.9 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 82' ' ' GLN . 31.5 t -36.15 -62.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.432 ' CG1' ' HE2' ' A' ' 88' ' ' LYS . 20.9 t -41.93 -47.44 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.5 mp -68.48 -46.98 68.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -42.59 -45.33 4.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 52.3 mt -61.18 -45.22 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.432 ' HE2' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -64.91 -25.6 67.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.823 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 179.827 . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.905 0.383 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.429 ' CD1' ' CE2' ' A' ' 29' ' ' PHE . 1.2 tt -118.02 133.87 55.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 5.2 ttm -129.47 120.49 25.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.7 mt -117.68 158.59 24.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.9 tp -119.38 106.06 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.432 HG23 ' CG1' ' A' ' 17' ' ' VAL . 16.1 m -117.38 160.75 16.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -105.06 128.31 26.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.583 0.706 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.381 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.834 0.35 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.4 t -82.47 133.48 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.8 tp -110.94 141.29 44.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 20' ' ' ARG . 35.5 mm -111.96 135.17 52.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.414 ' N ' HG23 ' A' ' 19' ' ' ILE . 63.6 mtm180 -135.01 124.78 25.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.5 ptp -149.51 169.44 20.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.1 pttt -126.94 150.93 73.17 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.601 0.715 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 135.75 31.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.652 2.235 . . . . 0.0 112.324 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.405 ' CG ' ' HG3' ' A' ' 53' ' ' PRO . 22.7 m-20 -69.58 176.82 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -46.82 -46.6 20.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -67.77 -27.29 66.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.75 41.04 5.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.467 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -135.27 148.08 49.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.535 ' CZ ' HD21 ' A' ' 98' ' ' LEU . 73.1 m-85 -87.9 -175.04 4.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -136.89 59.94 0.63 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -162.74 133.37 4.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.37 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -103.11 157.83 16.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.8 m -131.36 140.21 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -132.63 158.55 41.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.71 -145.4 17.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.09 171.07 23.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -42.45 -35.58 1.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.357 . . . . 0.0 110.913 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -46.29 -43.0 15.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 41' ' ' MET . 13.5 mm-40 -114.92 38.1 3.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 39' ' ' GLN . 11.9 mttp 35.31 31.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 39' ' ' GLN . 19.0 ptm -127.95 152.71 77.78 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.558 0.694 . . . . 0.0 110.898 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 150.05 67.69 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.311 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.3 t -70.15 96.37 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.5 mm -101.92 137.95 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.091 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 71.0 t -50.77 132.62 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.5 t -85.54 -63.32 1.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -146.03 159.42 43.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.8 t -131.97 125.96 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.74 146.31 36.79 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.566 0.698 . . . . 0.0 111.133 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 163.95 36.39 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 50.03 39.77 34.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.1 p -113.52 153.73 45.69 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.567 0.699 . . . . 0.0 111.133 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . 0.405 ' HG3' ' CG ' ' A' ' 24' ' ' ASP . 54.0 Cg_endo -69.78 2.88 3.14 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.711 2.274 . . . . 0.0 112.345 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -107.24 -19.07 13.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.088 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -98.34 -52.64 3.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.3 mt -53.62 -34.0 56.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 14.4 p -64.61 166.2 8.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.528 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 4.5 p -134.97 137.57 27.49 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.578 0.704 . . . . 0.0 111.154 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.3 Cg_endo -69.77 133.16 24.6 Favored 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.342 0.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.6 ttm105 -52.48 131.56 33.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.7 tp -79.29 89.37 4.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -94.75 150.94 19.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.1 mp0 -46.35 145.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 65' ' ' ASP . . . 109.29 -43.84 1.63 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 64' ' ' GLY . 74.7 m-20 -38.09 122.15 1.01 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.774 0.321 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -89.79 109.26 20.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.4 t -77.9 110.75 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 92.6 t -88.81 -45.46 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.446 ' CD2' ' HA ' ' A' ' 74' ' ' ASP . 86.8 mt -148.17 149.57 32.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.1 mt -121.09 121.77 65.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 53.5 41.82 32.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.73 34.74 61.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -129.05 119.84 24.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.329 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.446 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 3.6 m-20 -47.07 119.35 2.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.7 pp -115.37 -32.61 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -45.92 -46.87 16.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -62.49 -30.63 71.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.506 ' CG ' ' HG2' ' A' ' 82' ' ' GLN . 6.3 m170 -73.95 164.43 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' HIS . 14.0 p -102.8 152.16 21.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.171 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.419 ' CD2' ' C ' ' A' ' 80' ' ' HIS . 5.2 t60 -37.33 -64.11 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -38.36 -38.74 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.506 ' HG2' ' CG ' ' A' ' 78' ' ' HIS . 26.7 tp60 -80.09 -57.78 3.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.3 t -41.21 -41.75 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.5 t -58.97 -57.83 9.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 86' ' ' PHE . 4.0 mp -60.68 -50.1 74.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 85' ' ' LEU . 22.1 t80 -37.89 -46.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 35.4 mt -68.0 -52.05 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -51.93 -40.36 60.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.804 . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.911 0.386 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.535 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 8.3 tp -114.94 131.34 56.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 9.7 mtt -119.22 134.11 55.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.6 mt -132.76 131.56 41.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.1 tp -98.77 104.35 16.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 17.3 m -108.52 158.12 8.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -95.03 134.21 25.09 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.617 0.722 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.722 2.282 . . . . 0.0 112.343 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.4 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.873 0.368 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.3 t -85.25 139.87 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.2 tp -121.57 129.02 52.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.7 mm -92.82 119.87 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -117.87 132.37 56.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.37 159.14 16.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -112.96 144.47 31.14 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.701 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 125.01 11.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.738 2.292 . . . . 0.0 112.331 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' GLU . 1.2 p30 -58.02 179.53 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' ASP . 33.9 mp0 -34.53 -61.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -76.68 -27.34 55.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.34 42.27 8.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -105.38 84.82 2.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.488 ' CZ ' HD23 ' A' ' 98' ' ' LEU . 13.7 m-85 -53.33 125.06 16.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.404 ' HA3' ' CG2' ' A' ' 52' ' ' THR . . . -82.5 71.0 3.06 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.472 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.496 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 1.8 p90 -160.77 125.53 3.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -108.67 150.2 27.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.9 m -121.49 161.54 21.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -148.0 150.83 34.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.46 -156.13 18.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.75 160.26 10.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -44.79 -32.24 1.48 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.873 0.368 . . . . 0.0 110.927 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -57.35 -43.33 83.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' MET . 51.5 mm-40 -101.56 29.22 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' GLN . 0.2 OUTLIER 37.72 31.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 39' ' ' GLN . 9.5 ptm -132.15 153.54 81.35 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.574 0.702 . . . . 0.0 110.879 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.421 ' HG2' ' CD1' ' A' ' 44' ' ' ILE . 53.1 Cg_endo -69.8 152.29 69.04 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.669 2.246 . . . . 0.0 112.283 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.0 t -85.55 103.59 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.421 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 4.2 mp -118.23 139.65 44.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.5 t -50.33 111.66 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 t -61.46 -63.25 1.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -146.1 167.51 23.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 42.7 t -140.79 131.0 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.52 145.77 34.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.568 0.699 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 160.91 47.97 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.262 . . . . 0.0 112.332 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.73 34.31 70.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.404 ' CG2' ' HA3' ' A' ' 30' ' ' GLY . 75.4 p -111.61 151.82 43.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.548 0.69 . . . . 0.0 111.151 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 1.66 4.21 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.317 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.34 -19.85 13.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.059 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -99.09 -45.03 6.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mt -59.31 -30.65 68.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.3 p -71.18 136.32 48.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.535 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 4.2 p -97.21 137.66 21.21 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.628 0.728 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.7 138.22 47.78 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.371 -0.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -55.34 115.47 2.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.3 tp -64.64 100.42 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.415 ' O ' ' CG ' ' A' ' 65' ' ' ASP . 38.4 p30 -111.16 148.77 32.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -40.07 142.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.68 -43.35 1.71 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.473 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -47.39 100.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.714 0.292 . . . . 0.0 110.851 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -76.04 140.55 41.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.8 t -92.67 134.29 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.7 t -110.63 -39.78 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.411 ' CD2' ' HA ' ' A' ' 74' ' ' ASP . 95.3 mt -152.59 148.04 26.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.8 mt -113.85 117.1 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 52.58 34.09 14.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.05 42.63 58.71 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.8 ttt-85 -136.98 139.33 41.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.411 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 8.0 t70 -74.22 102.18 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.407 ' O ' ' CD1' ' A' ' 75' ' ' ILE . 2.2 pp -105.6 15.48 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.99 -40.64 31.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -66.93 -31.25 71.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -71.61 164.16 26.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 67.5 p -102.93 159.66 15.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.426 ' CD2' HG21 ' A' ' 84' ' ' VAL . 79.6 t60 -44.05 -58.98 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -40.03 -35.01 0.33 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -84.94 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.3 t -38.81 -39.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.426 HG21 ' CD2' ' A' ' 80' ' ' HIS . 96.0 t -61.37 -49.42 84.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.94 -48.01 75.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -40.06 -64.68 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 23.4 mt -53.31 -47.17 57.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -55.21 -38.07 67.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.862 . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.944 0.402 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.488 HD23 ' CZ ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -75.26 108.13 7.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.7 mtt -116.26 141.31 48.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.3 mt -138.91 132.89 31.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.0 tp -95.72 100.23 11.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.2 m -103.42 153.08 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -101.7 133.41 20.8 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.543 0.687 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.138 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.454 ' N ' HD23 ' A' ' 16' ' ' LEU . 2.3 mm? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.869 0.366 . . . . 0.0 110.93 . . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.9 t -85.2 117.36 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 tp -97.52 121.17 39.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.9 mm -88.57 138.04 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.462 ' CZ ' ' HB2' ' A' ' 20' ' ' ARG . 24.1 mtm105 -137.5 122.92 19.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.11 172.93 16.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -122.94 152.71 63.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.523 0.677 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 124.02 10.68 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -47.97 170.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -50.53 -42.25 54.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -84.47 20.31 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 44.04 57.44 4.81 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -147.51 128.53 14.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.819 0.342 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -81.55 -176.98 6.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -142.41 74.55 0.34 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -162.8 127.79 3.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.379 . . . . 0.0 110.929 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 46' ' ' SER . 7.9 m120 -96.63 133.91 40.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.4 m -115.91 163.96 12.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -143.48 149.77 38.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.42 178.14 31.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.532 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 152.22 166.44 14.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -45.72 -33.56 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.948 0.404 . . . . 0.0 110.963 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.48 -45.11 73.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.841 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 40' ' ' LYS . 10.3 mm-40 -104.43 27.98 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' GLN . 0.6 OUTLIER 35.37 43.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.0 ptm -134.98 152.72 77.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.543 0.687 . . . . 0.0 110.886 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.437 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 53.6 Cg_endo -69.75 152.3 69.33 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.229 . . . . 0.0 112.311 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.1 t -85.23 112.12 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.14 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.437 ' CD1' ' O ' ' A' ' 42' ' ' PRO . 3.9 mp -122.04 136.74 57.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.503 ' CG2' ' OD1' ' A' ' 65' ' ' ASP . 18.6 t -57.9 110.78 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 32' ' ' ASN . 5.9 t -63.86 -69.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -130.15 158.5 39.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.72 118.1 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.15 145.94 53.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.589 0.709 . . . . 0.0 111.076 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 161.03 47.51 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.269 . . . . 0.0 112.346 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.04 38.73 96.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.508 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.4 p -122.06 152.4 59.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.59 0.709 . . . . 0.0 111.13 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.95 3.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -100.67 -18.42 16.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.45 ' OD1' ' CG ' ' A' ' 60' ' ' ARG . 3.9 t70 -101.08 -63.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.5 mt -45.38 -32.73 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.9 p -60.78 162.23 7.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.423 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 85.2 t -124.86 124.39 25.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.655 0.74 . . . . 0.0 111.103 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.423 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.79 168.01 69.11 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.357 -0.05 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.45 ' CG ' ' OD1' ' A' ' 55' ' ' ASP . 20.0 ttp180 -86.73 120.43 28.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.0 tp -64.19 112.62 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -117.51 167.61 11.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -61.15 133.28 55.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.49 -32.12 4.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.503 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 2.6 p30 -50.72 129.8 23.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.767 0.318 . . . . 0.0 110.832 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -107.64 104.39 13.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.2 t -68.58 128.71 32.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.5 t -112.68 -45.91 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.7 mt -139.64 131.12 27.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 92.1 mt -103.1 106.36 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 58.71 32.67 22.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 76.28 44.02 18.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -138.31 134.26 34.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.853 0.358 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -72.1 92.07 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.3 pp -93.72 4.68 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.75 -45.98 63.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -63.83 -30.99 72.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -70.94 143.29 50.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.817 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.1 p -75.97 170.77 15.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -51.87 -54.56 27.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -52.8 -46.87 67.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 83' ' ' VAL . 11.5 mm100 -59.85 -61.84 2.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 82' ' ' GLN . 69.9 t -36.65 -65.66 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' VAL . 95.8 t -36.19 -56.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.26 -47.42 84.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -42.13 -47.46 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 21.2 mt -56.81 -51.6 65.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -45.71 -42.76 12.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.801 . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.864 0.364 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 tp -93.63 146.62 23.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 6.3 mtt -136.6 107.91 6.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.5 mt -112.96 113.81 26.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 23.9 tp -83.12 101.64 11.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 33.2 m -106.77 157.28 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 57.1 ttt-85 -99.71 129.58 28.47 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.61 0.719 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.393 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 16' ' ' LEU . 4.2 mm? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.892 0.377 . . . . 0.0 110.899 . . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.5 t -99.34 145.69 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 tp -125.99 131.58 52.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.3 mm -99.15 109.89 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -102.79 122.54 44.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -155.64 175.77 13.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -130.6 151.38 78.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.589 0.709 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 161.78 44.61 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -87.2 -177.61 6.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -62.75 -8.13 6.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -120.05 23.4 11.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.66 49.01 22.55 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -130.34 155.6 46.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.379 . . . . 0.0 110.828 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.549 ' CE2' HD23 ' A' ' 98' ' ' LEU . 96.6 m-85 -114.74 179.17 4.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -123.38 58.63 0.62 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -166.31 133.3 2.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -104.28 167.7 9.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.9 m -141.51 157.06 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -147.06 158.29 43.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.99 -151.89 19.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.61 169.58 15.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -43.76 -27.66 0.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -54.52 -44.39 72.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 41' ' ' MET . 40.1 mm-40 -114.39 28.33 8.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' GLN . 31.8 mttt 37.86 31.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 39' ' ' GLN . 15.4 ptm -117.8 152.17 49.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.576 0.703 . . . . 0.0 110.89 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 147.64 63.61 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.694 2.263 . . . . 0.0 112.354 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.2 t -72.34 101.53 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.8 mm -110.26 138.05 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.1 t -50.23 134.31 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.7 t -88.87 -60.49 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 15.2 tpp180 -146.18 152.61 39.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.445 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 25.0 t -138.36 125.19 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.169 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.87 152.57 39.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.576 0.703 . . . . 0.0 111.156 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 173.38 11.04 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.303 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 45.91 42.31 11.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.443 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.6 p -117.48 154.95 50.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.539 0.685 . . . . 0.0 111.147 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -0.62 7.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.626 2.217 . . . . 0.0 112.371 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -107.32 -27.12 10.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -91.19 -53.0 4.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 mt -52.36 -38.26 58.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 16.4 p -62.08 158.6 16.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.522 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 94.9 t -120.31 135.33 24.41 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.586 0.707 . . . . 0.0 111.183 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.4 Cg_endo -69.79 143.52 74.15 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.308 0.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -59.07 121.85 12.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 29.0 tp -72.18 104.77 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -115.04 166.59 11.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -56.43 148.62 18.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.24 -41.54 2.12 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.445 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -42.75 117.24 1.0 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.75 0.31 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -91.79 108.2 19.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.3 105.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.089 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.3 t -76.74 -46.6 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 74' ' ' ASP . 78.2 mt -153.48 139.29 18.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 50.0 mt -107.79 123.51 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.149 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 53.56 33.1 15.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.58 33.56 87.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.475 ' HD3' ' CE1' ' A' ' 86' ' ' PHE . 47.3 mtp180 -130.55 132.92 45.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.917 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.451 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 9.6 p-10 -57.4 115.12 2.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.405 ' C ' HD13 ' A' ' 75' ' ' ILE . 2.5 pp -117.1 -14.86 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.16 -12.09 61.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -102.94 -5.18 23.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -99.39 163.25 12.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.7 p -82.22 159.36 23.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.443 ' CD2' HG23 ' A' ' 84' ' ' VAL . 7.7 t60 -43.76 -60.36 1.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -47.62 -53.27 15.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -49.84 -44.37 49.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.23 -46.94 91.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.443 HG23 ' CD2' ' A' ' 80' ' ' HIS . 89.9 t -60.43 -43.69 94.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.63 -36.56 78.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.475 ' CE1' ' HD3' ' A' ' 73' ' ' ARG . 86.3 t80 -60.45 -58.28 9.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 71.0 mt -48.7 -36.03 7.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -67.17 -41.3 86.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.868 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.549 HD23 ' CE2' ' A' ' 29' ' ' PHE . 14.0 tp -86.21 132.51 33.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 4.0 mtt -116.71 108.88 16.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.5 mt -115.75 141.27 48.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.9 tp -113.54 101.49 9.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.9 m -106.6 156.29 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -91.07 135.38 28.57 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.639 0.733 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.477 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.3 t -87.42 140.75 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 tp -114.18 134.28 55.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.1 mm -106.81 113.61 43.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.3 mtm105 -111.48 126.05 54.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.84 173.15 17.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -119.83 152.54 53.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.64 0.733 . . . . 0.0 110.881 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 135.07 29.45 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -51.98 175.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -52.25 -46.11 65.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -78.87 -28.17 44.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.09 52.95 0.91 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 mtp-105 -144.52 141.01 29.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.798 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -90.88 -177.14 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.441 ' HA3' ' CG2' ' A' ' 52' ' ' THR . . . -135.25 67.61 0.55 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.515 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -158.39 130.15 6.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -101.02 151.16 22.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.7 m -131.59 154.23 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.196 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.0 pttt -137.48 140.69 41.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.7 -172.1 14.39 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.506 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.76 166.25 10.62 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.527 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -48.93 -31.58 7.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.875 0.369 . . . . 0.0 110.905 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -62.52 -44.37 96.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' LYS . 13.9 mt-30 -97.59 18.56 15.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' GLN . 4.8 mmmm 36.01 36.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 12.9 ptm -128.33 153.07 78.96 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.592 0.71 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 156.86 62.3 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.735 2.29 . . . . 0.0 112.382 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.412 ' C ' HD12 ' A' ' 44' ' ' ILE . 22.0 t -89.71 115.74 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 45' ' ' VAL . 5.1 mp -134.07 134.67 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.17 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.424 ' N ' HG22 ' A' ' 44' ' ' ILE . 98.9 t -51.58 128.42 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.3 t -88.57 -52.12 5.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -144.61 157.74 44.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.8 t -137.96 113.37 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.59 148.32 61.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.521 0.677 . . . . 0.0 111.113 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 176.19 7.14 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 55.01 32.44 56.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.441 ' CG2' ' HA3' ' A' ' 30' ' ' GLY . 31.6 p -121.22 153.89 58.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.593 0.711 . . . . 0.0 111.16 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -0.81 7.49 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.267 . . . . 0.0 112.314 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -96.12 -22.08 17.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.404 ' CG ' ' HG3' ' A' ' 60' ' ' ARG . 2.6 t70 -96.75 -64.95 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.4 mt -44.43 -42.01 6.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 13.7 p -53.71 153.85 4.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.468 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 97.8 t -115.94 124.71 29.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.609 0.719 . . . . 0.0 111.099 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.73 172.27 49.67 Favored 'Cis proline' 0 C--O 1.231 0.141 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.299 -0.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.404 ' HG3' ' CG ' ' A' ' 55' ' ' ASP . 19.6 ttp180 -89.08 114.37 25.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.5 tp -60.03 127.37 31.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -141.3 169.22 18.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -56.15 147.2 21.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 66' ' ' GLN . . . 103.96 -43.76 1.61 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -51.27 91.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.742 0.306 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 64' ' ' GLY . 36.8 tt0 -66.18 129.64 40.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.5 t -85.19 107.84 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.0 t -85.65 -40.48 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.2 mt -153.96 137.56 16.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.7 mt -104.73 116.55 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 62.87 29.18 16.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.01 30.23 68.05 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.8 mtt85 -129.69 150.67 50.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -77.46 126.94 31.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.4 pp -129.99 -5.76 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.41 -44.22 72.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -60.67 -28.51 68.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -71.33 152.51 43.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.5 p -93.79 167.25 11.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -42.49 -55.24 3.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -52.22 -52.88 49.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 85' ' ' LEU . 34.2 mt-30 -58.33 -67.88 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.422 ' O ' ' CD1' ' A' ' 87' ' ' ILE . 24.1 t -35.94 -46.86 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 85.6 t -57.32 -45.87 85.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 82' ' ' GLN . 12.9 mt -69.75 -27.1 64.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -57.04 -57.94 10.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.422 ' CD1' ' O ' ' A' ' 83' ' ' VAL . 5.0 mp -64.39 -49.41 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt -46.54 -44.18 17.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.785 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.859 0.361 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.454 ' C ' ' CD2' ' A' ' 98' ' ' LEU . 1.4 tt -98.47 154.62 17.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.8 mtp -129.19 149.1 51.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 22.6 mt -132.94 120.91 22.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.6 tp -91.75 99.93 12.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.8 m -106.12 171.79 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.468 ' CD ' ' HD2' ' A' ' 104' ' ' PRO . 0.5 OUTLIER -108.25 137.43 19.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.619 0.723 . . . . 0.0 110.866 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.468 ' HD2' ' CD ' ' A' ' 103' ' ' ARG . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.369 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.842 0.353 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 81.5 t -95.97 128.99 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.447 HD22 ' NE ' ' A' ' 20' ' ' ARG . 17.3 tp -107.13 138.68 42.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.9 mm -109.5 116.29 51.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.447 ' NE ' HD22 ' A' ' 18' ' ' LEU . 40.0 mtt180 -120.25 115.6 23.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.89 171.35 14.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm -122.77 152.91 63.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.71 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 122.51 9.2 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.727 2.285 . . . . 0.0 112.362 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -55.85 -177.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -55.92 -37.25 68.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 27' ' ' GLY . 3.9 m-20 -85.46 27.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 26' ' ' ASN . . . 34.79 51.0 0.79 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.482 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.404 ' HD2' ' C ' ' A' ' 28' ' ' ARG . 0.9 OUTLIER -150.1 144.93 26.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.898 -179.828 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -96.62 164.56 12.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -110.66 68.72 0.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.459 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 9.0 p90 -166.1 121.86 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -101.18 158.73 15.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . 0.429 ' HB ' ' CG1' ' A' ' 43' ' ' VAL . 32.2 m -127.25 168.08 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' NZ ' ' O ' ' A' ' 45' ' ' VAL . 22.4 pttm -145.39 148.76 33.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.04 -152.48 19.0 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.478 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.28 161.82 11.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.513 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -45.63 -26.23 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.916 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -62.21 -40.27 95.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' LYS . 6.8 mt-30 -106.49 28.0 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 40' ' ' LYS . 2.1 mptt 36.43 42.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 17.7 ptm -138.08 152.75 72.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.538 0.685 . . . . 0.0 110.885 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 154.32 67.68 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.744 2.296 . . . . 0.0 112.329 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . 0.429 ' CG1' ' HB ' ' A' ' 33' ' ' VAL . 21.2 t -84.9 113.32 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.402 HG23 ' N ' ' A' ' 45' ' ' VAL . 5.4 mp -125.95 144.05 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.403 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . 97.5 t -54.53 141.89 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.5 p -103.88 -53.81 2.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -141.66 153.86 44.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.7 t -139.75 106.9 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.45 147.91 76.27 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.608 0.718 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 171.54 14.31 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.34 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 54.94 33.69 57.06 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.8 p -118.98 153.73 52.87 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.572 0.701 . . . . 0.0 111.143 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 2.85 3.14 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -100.4 -19.02 16.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . 0.443 ' OD1' ' CG ' ' A' ' 60' ' ' ARG . 3.6 t70 -102.13 -63.15 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.4 mt -46.36 -31.44 2.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.6 p -58.96 162.15 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.439 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 24.2 t -123.47 121.57 26.79 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.738 . . . . 0.0 111.123 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.439 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.72 174.56 39.95 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.332 -0.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . 0.443 ' CG ' ' OD1' ' A' ' 55' ' ' ASP . 20.5 ttp180 -90.39 120.82 31.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.453 HD21 ' CB ' ' A' ' 31' ' ' PHE . 15.6 tp -69.19 127.14 32.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.529 ' CG ' ' N ' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -141.36 169.73 17.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.529 ' N ' ' CG ' ' A' ' 62' ' ' ASN . 27.9 mt-10 -58.56 152.8 17.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.53 -41.48 2.23 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -52.85 114.62 1.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.743 0.306 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -90.04 126.81 35.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.9 t -84.62 122.35 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.7 t -90.52 -52.07 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.8 mt -142.15 157.36 44.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 74.8 mt -127.73 123.58 61.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 59.93 27.1 16.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.89 -15.58 36.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.455 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 52.3 mtt85 -91.99 144.18 25.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -73.82 122.3 22.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.5 pp -104.54 -31.86 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.07 -27.93 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -76.51 -31.39 57.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.417 ' HB3' ' CB ' ' A' ' 82' ' ' GLN . 9.9 m80 -80.28 147.87 30.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.7 p -75.88 161.69 28.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -40.19 -57.3 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -46.01 -48.41 16.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.417 ' CB ' ' HB3' ' A' ' 78' ' ' HIS . 0.6 OUTLIER -65.26 -55.02 20.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.5 t -50.08 -61.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.5 t -44.53 -59.54 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.1 mt -57.5 -35.38 70.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -57.2 -46.31 82.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.1 mt -58.78 -59.16 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 89' ' ' ALA . 54.2 mttm -51.54 -52.79 44.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 88' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.061 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.88 0.371 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.75 111.64 20.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.436 ' HG3' ' CD1' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -111.77 140.61 46.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.866 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.416 ' HG ' ' C ' ' A' ' 99' ' ' MET . 4.8 mt -147.52 115.63 6.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.5 tp -90.49 104.97 17.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.0 m -107.53 149.76 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -91.36 134.9 28.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.389 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.45 ' CD2' ' HG3' ' A' ' 103' ' ' ARG . 15.9 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.933 0.397 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.46 ' CG1' HG23 ' A' ' 102' ' ' VAL . 9.6 p -83.29 156.24 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.0 tp -125.1 123.55 39.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.9 mm -91.79 103.65 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -105.14 119.59 39.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' MET . . . . . 0.437 ' CE ' HD13 ' A' ' 100' ' ' LEU . 6.1 ptp -143.78 176.53 9.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -129.03 145.68 57.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 155.69 65.47 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.262 . . . . 0.0 112.367 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 28' ' ' ARG . 0.4 OUTLIER -87.42 179.68 6.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -43.94 -61.83 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -66.43 -26.28 67.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.89 1.19 55.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . 0.448 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 9.5 ptm180 -82.87 140.47 32.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -97.85 170.91 8.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -116.38 64.19 0.34 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.455 ' CZ ' HD11 ' A' ' 87' ' ' ILE . 4.1 p90 -166.11 134.69 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.357 . . . . 0.0 110.839 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -111.64 159.19 18.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.68 161.77 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.7 pttt -141.04 141.12 34.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.73 174.01 17.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 162.69 -170.48 38.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 2.7 t80 -73.87 -20.35 60.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.902 0.382 . . . . 0.0 110.923 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -74.3 -33.44 63.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 40' ' ' LYS . 22.9 mm-40 -108.15 16.99 22.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' GLN . 9.1 mptt 35.22 50.36 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.9 ptm -138.86 152.66 70.85 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.552 0.691 . . . . 0.0 110.885 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.478 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 52.8 Cg_endo -69.81 149.77 66.99 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.65 2.234 . . . . 0.0 112.286 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.8 t -84.33 116.71 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.478 ' CD1' ' O ' ' A' ' 42' ' ' PRO . 4.0 mp -128.5 146.81 33.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.2 t -59.52 129.17 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 t -90.98 -60.94 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -140.41 152.26 45.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.9 t -138.68 113.86 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.67 150.06 72.23 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 111.097 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 174.59 9.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.712 2.275 . . . . 0.0 112.364 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 49.26 46.14 35.02 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.486 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.7 p -130.77 154.59 81.88 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.565 0.698 . . . . 0.0 111.168 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.51 3.44 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.722 2.281 . . . . 0.0 112.36 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -109.99 -8.25 14.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -112.28 -22.95 10.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.4 mt -89.31 -35.89 15.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 p -55.08 152.34 7.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.428 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 42.5 t -127.06 122.64 23.23 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.592 0.711 . . . . 0.0 111.169 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.428 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.74 148.07 85.93 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.363 -0.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.2 ptt-85 -83.38 169.04 16.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.9 tp -103.15 129.08 49.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.45 156.2 48.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.28 125.48 16.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.34 -42.76 1.63 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -51.49 99.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.714 0.292 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -73.1 125.66 28.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.1 t -78.86 111.24 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 93.7 t -89.1 -37.43 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.413 ' CD2' ' HB3' ' A' ' 74' ' ' ASP . 88.9 mt -149.4 137.77 20.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 15.7 mt -109.42 95.56 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 73.18 40.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.03 -37.17 2.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -80.19 141.19 35.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . 0.413 ' HB3' ' CD2' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -85.93 141.61 29.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.8 pp -123.94 11.02 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.17 -12.94 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.064 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.3 mp0 -99.25 -23.34 15.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -71.5 146.81 48.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 80' ' ' HIS . 13.3 p -84.37 150.36 25.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' THR . 22.1 t60 -35.07 -63.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 0.3 OUTLIER -42.48 -64.18 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -49.18 -62.07 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.5 t -39.48 -50.46 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 79.5 t -50.45 -50.31 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.41 -32.56 71.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -51.42 -39.33 57.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . 0.455 HD11 ' CZ ' ' A' ' 31' ' ' PHE . 14.3 mt -69.66 -46.0 76.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.45 -33.14 69.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.847 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.862 0.363 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.2 tt -119.59 146.09 45.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.8 mtt -129.18 121.9 28.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.437 HD13 ' CE ' ' A' ' 21' ' ' MET . 13.5 mt -108.18 116.35 31.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.5 tp -85.33 103.11 13.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.46 HG23 ' CG1' ' A' ' 17' ' ' VAL . 18.8 m -112.07 171.92 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.45 ' HG3' ' CD2' ' A' ' 16' ' ' LEU . 13.3 ttm180 -111.85 124.67 31.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.581 0.705 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.258 . . . . 0.0 112.307 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 16' ' ' LEU . 2.8 mm? . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.847 0.356 . . . . 0.0 110.893 . . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 87.2 t -98.85 121.67 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.6 tp -101.59 129.54 47.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.5 mm -100.29 123.63 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.457 ' HB3' ' CZ ' ' A' ' 20' ' ' ARG . 13.5 mtp-105 -126.15 131.06 52.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.39 176.27 12.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -122.16 151.72 59.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.561 0.695 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 147.09 61.88 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -72.18 -177.59 2.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -58.01 -35.66 71.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -93.95 24.85 3.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 45.3 56.64 6.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -149.67 149.93 31.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.84 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -104.28 -176.02 2.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.454 ' HA3' ' CG2' ' A' ' 52' ' ' THR . . . -129.31 65.29 0.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 6.7 p90 -158.03 127.86 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -104.83 140.89 37.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.2 155.69 17.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.7 pttt -143.67 143.71 31.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . 0.421 ' HA2' ' CG ' ' A' ' 41' ' ' MET . . . 105.98 158.94 22.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.473 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.93 -174.52 40.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.487 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -60.16 -31.81 70.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.883 0.373 . . . . 0.0 110.943 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -55.75 -41.93 74.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' LYS . 11.3 mm-40 -109.92 27.34 9.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' GLN . 3.5 mtpm? 37.47 36.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.421 ' CG ' ' HA2' ' A' ' 35' ' ' GLY . 9.0 ptm -128.65 154.17 79.66 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.58 0.705 . . . . 0.0 110.899 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 157.2 61.05 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.364 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.9 t -91.19 116.18 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.426 HG21 ' N ' ' A' ' 45' ' ' VAL . 5.3 mp -133.79 136.34 54.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.469 ' CG1' ' HA ' ' A' ' 63' ' ' GLU . 73.2 t -51.48 114.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 p -68.68 -62.39 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 48' ' ' VAL . 3.5 tmm_? -146.09 148.4 32.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.465 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 74.2 t -123.62 119.98 58.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.78 143.55 71.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.528 0.68 . . . . 0.0 111.135 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 173.42 11.03 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 51.65 45.86 54.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.454 ' CG2' ' HA3' ' A' ' 30' ' ' GLY . 10.4 p -131.66 155.69 81.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.577 0.703 . . . . 0.0 111.127 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -6.58 18.98 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.654 2.236 . . . . 0.0 112.33 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.66 -19.47 21.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -99.62 -63.03 1.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mt -46.73 -20.53 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.9 p -68.37 167.89 13.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.487 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 1.4 p -132.72 128.9 21.07 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.64 0.733 . . . . 0.0 111.113 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 54.3 Cg_endo -69.71 135.47 33.9 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.705 -1.789 . . . . 0.0 112.338 -0.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -55.87 118.11 4.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.04 108.98 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 63' ' ' GLU . 8.1 p30 -111.0 127.4 55.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . 0.469 ' HA ' ' CG1' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -34.14 149.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.84 -12.45 57.75 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . 0.433 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 3.0 p-10 -77.21 126.83 31.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.783 0.325 . . . . 0.0 110.813 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -88.3 124.65 34.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.7 t -84.48 104.89 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 50.7 t -72.13 -47.88 52.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.161 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.0 mt -149.02 143.75 26.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.44 HG22 ' ND2' ' A' ' 71' ' ' ASN . 63.2 mt -98.06 104.51 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . 0.44 ' ND2' HG22 ' A' ' 70' ' ' ILE . 20.7 p30 47.14 38.94 7.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.5 44.95 10.16 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.453 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.6 mmp_? -137.39 121.91 18.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -67.15 113.31 5.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.9 pp -131.24 13.23 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.01 75.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -93.81 27.95 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.54 ' CE1' ' HB3' ' A' ' 82' ' ' GLN . 4.6 t-160 -108.66 148.76 29.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.1 p -63.43 165.0 8.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -70.03 -56.65 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.834 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -42.44 -45.15 4.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.54 ' HB3' ' CE1' ' A' ' 78' ' ' HIS . 9.0 mm-40 -64.14 -65.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 82' ' ' GLN . 55.4 t -36.55 -58.58 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 87.7 t -47.31 -43.24 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.1 mt -71.84 -35.94 70.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -48.19 -53.13 17.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.8 mt -53.88 -54.96 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -46.33 -56.88 5.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.823 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.891 0.376 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.08 129.9 52.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 6.0 mtp -133.23 117.2 17.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.5 mt -117.72 128.27 54.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.6 tp -91.39 106.51 18.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 17.9 m -111.36 155.1 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -97.03 136.02 21.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.54 0.686 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.34 0.122 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.879 0.371 . . . . 0.0 110.9 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.1 t -102.29 148.32 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 tp -127.95 137.03 52.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.8 mm -102.48 115.52 44.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -114.87 131.39 56.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.13 149.98 9.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -87.82 155.34 53.07 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.551 0.691 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 157.89 58.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.65 2.234 . . . . 0.0 112.32 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -79.31 173.17 12.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -46.37 -46.45 18.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -82.25 -16.38 49.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.79 37.7 4.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.45 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -128.21 172.43 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -120.08 176.74 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -117.01 64.69 0.35 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 31' ' ' PHE . 8.8 p90 -165.31 135.08 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -106.5 162.53 13.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.2 m -136.42 162.59 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -148.61 159.06 44.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.86 -168.59 24.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.502 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.45 164.28 9.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.51 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -47.29 -27.7 1.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.905 0.383 . . . . 0.0 110.918 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.33 -41.01 94.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -99.85 19.31 16.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp 42.93 30.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 10.9 ptm -127.24 151.5 74.66 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.562 0.696 . . . . 0.0 110.899 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 162.28 42.65 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 50.5 t -90.73 120.03 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.2 mp -137.98 142.13 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.423 HG12 ' CG2' ' A' ' 48' ' ' VAL . 63.6 t -54.65 132.28 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.7 p -94.13 -59.42 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.5 tpt85 -135.84 148.07 48.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . 0.423 ' CG2' HG12 ' A' ' 45' ' ' VAL . 58.4 t -138.2 110.41 6.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.3 148.08 66.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.597 0.713 . . . . 0.0 111.089 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -177.43 1.86 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.238 . . . . 0.0 112.385 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 44.17 46.7 8.19 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 13.1 p -132.17 154.82 81.78 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.564 0.697 . . . . 0.0 111.153 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 2.2 3.79 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.706 2.271 . . . . 0.0 112.33 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -108.05 -24.96 11.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.075 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -93.41 -34.32 13.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.1 mt -81.67 -15.72 53.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.6 p -74.29 160.22 31.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.525 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 92.8 t -124.72 137.58 29.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.662 0.744 . . . . 0.0 111.113 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.1 Cg_endo -69.81 141.66 66.89 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.292 0.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -49.01 129.03 17.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.3 tp -89.08 100.55 13.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -108.15 163.35 13.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -54.04 145.49 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.21 -27.72 18.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -56.95 89.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.348 . . . . 0.0 110.835 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -70.64 116.91 11.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.7 t -71.75 113.2 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . 0.456 ' CG2' ' HB2' ' A' ' 103' ' ' ARG . 61.1 t -83.74 -55.56 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.7 mt -139.45 143.08 37.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 51.4 mt -111.68 123.97 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 51.73 36.71 18.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.05 37.57 95.16 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.44 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -135.43 156.89 48.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.815 0.34 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -72.64 127.43 32.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.835 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.418 ' CD1' ' N ' ' A' ' 76' ' ' ALA . 2.8 pp -121.4 -39.0 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.418 ' N ' ' CD1' ' A' ' 75' ' ' ILE . . . -51.81 -37.22 50.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -73.07 -19.87 61.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -89.25 166.07 14.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.799 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 27.1 p -84.63 173.59 10.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -56.23 -49.89 72.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.66 -62.16 1.8 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.546 ' OE1' ' CE2' ' A' ' 86' ' ' PHE . 0.6 OUTLIER -42.24 -51.53 4.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.9 t -54.53 -46.64 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 95.0 t -55.01 -26.26 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.125 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.9 mp -82.22 -44.19 16.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.546 ' CE2' ' OE1' ' A' ' 82' ' ' GLN . 2.9 m-85 -45.08 -29.9 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 10.2 mt -80.88 -54.23 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -54.27 -44.74 72.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.802 . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.401 HD12 ' C ' ' A' ' 98' ' ' LEU . 0.5 OUTLIER -129.54 132.15 46.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 8.5 mtt -134.38 126.31 29.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.8 mt -131.69 119.29 21.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.8 tp -91.67 101.5 14.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 33.8 m -101.46 158.95 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.456 ' HB2' ' CG2' ' A' ' 68' ' ' VAL . 17.8 ttp180 -107.43 107.38 60.31 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.608 0.718 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.14 0 C-N-CA 122.677 2.252 . . . . 0.0 112.296 -179.943 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.855 0.359 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.46 ' CG1' HG22 ' A' ' 102' ' ' VAL . 3.0 p -81.61 149.62 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 tp -125.72 136.84 53.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.8 mm -101.37 144.03 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -144.86 132.28 20.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -162.28 175.11 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -125.55 152.44 71.83 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 144.82 55.09 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.638 2.225 . . . . 0.0 112.317 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -70.46 -176.55 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -68.03 -11.49 59.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -116.78 10.38 14.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.23 58.3 13.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.518 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -145.81 123.43 11.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.413 ' CZ ' HD22 ' A' ' 98' ' ' LEU . 63.1 m-85 -84.1 178.43 7.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.422 ' HA3' ' CG2' ' A' ' 52' ' ' THR . . . -131.31 71.08 0.51 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.456 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 14.9 p90 -166.24 128.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.928 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -100.2 156.81 17.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.4 m -131.06 152.91 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -133.67 149.12 51.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.47 177.68 45.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.496 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.77 -154.39 20.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.514 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.479 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 2.8 t80 -81.56 -45.82 15.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.915 0.388 . . . . 0.0 110.938 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.95 -25.46 66.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -95.34 0.41 53.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm 50.18 43.95 26.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.6 ptm -142.55 153.26 61.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.542 0.687 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.438 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 53.9 Cg_endo -69.8 155.31 66.13 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.626 2.218 . . . . 0.0 112.353 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.3 t -86.04 117.49 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.091 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.458 HG21 ' N ' ' A' ' 45' ' ' VAL . 4.0 mp -130.49 140.5 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . 0.458 ' N ' HG21 ' A' ' 44' ' ' ILE . 98.8 t -55.76 130.44 18.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.4 t -88.9 -58.81 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.3 tpt85 -144.8 151.38 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.6 t -133.5 115.44 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.85 146.89 53.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.545 0.688 . . . . 0.0 111.115 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 164.05 35.98 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.727 2.285 . . . . 0.0 112.358 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.99 40.73 95.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.422 ' CG2' ' HA3' ' A' ' 30' ' ' GLY . 16.5 p -131.5 154.78 81.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.579 0.704 . . . . 0.0 111.111 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -0.86 7.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.79 -5.93 19.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -107.68 -53.65 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.9 mt -67.65 -22.64 65.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.8 p -60.45 170.69 1.28 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.51 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 57.4 t -140.73 133.94 14.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.594 0.711 . . . . 0.0 111.145 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 54.1 Cg_endo -69.74 139.66 55.86 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.623 -1.824 . . . . 0.0 112.365 -0.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -53.84 128.81 31.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 24.1 tp -81.38 86.5 6.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -82.03 168.1 18.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -68.07 134.89 51.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.74 -13.33 32.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.12 85.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.764 0.316 . . . . 0.0 110.864 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -59.38 113.42 2.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.6 t -73.93 105.08 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.1 t -76.6 -40.24 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.1 mt -153.36 134.79 14.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.4 mt -99.44 122.1 50.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 59.11 27.19 16.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 70.46 41.44 66.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -137.74 158.95 43.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -84.24 107.28 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.402 HG23 ' CD2' ' A' ' 86' ' ' PHE . 2.8 pp -117.85 -4.96 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.83 -27.19 64.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.059 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 37' ' ' TYR . 24.3 tt0 -79.14 -28.62 42.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -67.77 149.7 49.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.0 p -78.33 164.12 25.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.142 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -42.29 -55.07 3.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -59.67 -46.88 87.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -55.85 -39.66 71.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 86' ' ' PHE . 23.1 t -66.51 -68.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 83' ' ' VAL . 27.4 t -37.15 -51.12 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.153 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.57 -37.87 89.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 83' ' ' VAL . 46.4 t80 -50.16 -41.52 49.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 40.9 mt -62.99 -58.6 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.71 -42.78 62.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.086 179.856 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.413 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -86.63 107.1 18.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.888 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 18.7 mtt -111.07 141.73 44.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.7 mt -141.46 116.51 9.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.8 tp -80.57 99.75 8.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.46 HG22 ' CG1' ' A' ' 17' ' ' VAL . 3.9 m -109.0 172.25 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . 0.46 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 17.1 ttt-85 -102.02 139.32 20.2 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 103' ' ' ARG . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 16' ' ' LEU . 3.8 mm? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.837 0.351 . . . . 0.0 110.901 . . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . 0.468 ' CG1' HG22 ' A' ' 102' ' ' VAL . 1.9 p -97.09 145.84 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . 0.475 HD12 ' CG ' ' A' ' 99' ' ' MET . 6.2 tp -112.63 135.97 52.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.3 mm -106.58 130.13 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . 0.439 ' NH1' ' HB3' ' A' ' 20' ' ' ARG . 5.7 mmm180 -122.8 128.62 50.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.3 ptp -172.3 148.29 2.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -106.76 143.94 28.06 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.561 0.696 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 159.87 51.82 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.733 2.288 . . . . 0.0 112.359 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -72.31 -176.14 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -60.08 -42.82 95.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -93.89 22.25 5.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.28 52.84 44.71 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.55 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -121.76 132.71 54.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . 0.421 ' CZ ' ' CD1' ' A' ' 98' ' ' LEU . 68.6 m-85 -104.26 175.59 5.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -129.97 67.75 0.56 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -159.53 135.26 8.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -98.68 153.44 18.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 m -128.66 171.04 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . 0.408 ' CG ' ' O ' ' A' ' 44' ' ' ILE . 1.5 ptmm? -151.98 122.1 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.81 -165.5 20.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.88 158.55 7.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.459 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -42.43 -31.79 0.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.877 0.37 . . . . 0.0 110.885 -179.779 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -49.96 -43.22 50.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 41' ' ' MET . 17.5 mm100 -110.23 34.05 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 39' ' ' GLN . 30.3 mmtp 35.0 32.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 39' ' ' GLN . 25.8 ptm -122.62 152.62 62.11 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.538 0.685 . . . . 0.0 110.892 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . 0.422 ' C ' HD13 ' A' ' 44' ' ' ILE . 53.7 Cg_endo -69.79 169.94 17.79 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.247 . . . . 0.0 112.342 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 83.9 t -91.56 102.3 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . 0.434 ' CD1' ' N ' ' A' ' 44' ' ' ILE . 2.8 mp -107.97 143.29 18.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.5 t -68.03 131.91 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.6 p -93.73 -56.16 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -141.95 160.13 40.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.9 t -134.81 119.08 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.26 150.41 74.08 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.572 0.701 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.65 18.4 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 48.36 42.35 25.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.8 p -119.86 153.2 54.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.534 0.683 . . . . 0.0 111.163 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 2.13 3.82 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -110.57 -13.94 14.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -100.87 -43.97 5.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 mt -74.68 -24.65 58.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.4 p -66.03 161.27 21.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.508 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 67.2 t -128.42 134.37 26.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.672 0.749 . . . . 0.0 111.166 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 54.2 Cg_endo -69.74 143.03 72.68 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.325 -0.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -55.92 129.71 40.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.7 tp -80.91 100.95 9.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -94.85 167.07 11.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -62.93 157.77 20.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 66' ' ' GLN . . . 84.41 -22.74 8.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.64 87.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 110.837 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' GLY . 38.6 tt0 -67.23 115.74 7.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.4 t -76.3 108.01 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.6 t -71.9 -34.85 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.6 mt -155.86 162.79 40.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 37.1 mt -130.89 114.08 26.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 57.74 34.56 24.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.43 37.86 95.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.496 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -136.46 135.67 38.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.768 0.318 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -58.11 119.74 7.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . 0.408 HG13 ' N ' ' A' ' 76' ' ' ALA . 5.1 pt -114.99 -28.68 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . 0.408 ' N ' HG13 ' A' ' 75' ' ' ILE . . . -47.7 -34.06 7.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -75.56 -26.33 57.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -76.86 155.95 32.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 p -92.74 172.13 8.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -52.57 -54.64 30.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.46 -58.87 5.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 83' ' ' VAL . 30.2 mm-40 -49.76 -63.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 82' ' ' GLN . 90.9 t -37.51 -58.69 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 94.1 t -44.24 -43.25 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.34 -42.38 59.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -53.61 -38.47 64.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 12.2 mt -68.19 -44.32 84.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 69.4 mttm -62.93 -31.92 73.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 179.898 . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.4 pm0 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.421 ' CD1' ' CZ ' ' A' ' 29' ' ' PHE . 5.7 tt -134.15 145.82 49.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' MET . . . . . 0.475 ' CG ' HD12 ' A' ' 18' ' ' LEU . 24.1 ttm -133.08 144.97 50.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.4 mt -135.09 152.48 51.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 21.1 tp -124.28 99.76 6.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . 0.468 HG22 ' CG1' ' A' ' 17' ' ' VAL . 11.1 m -109.48 171.98 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -104.56 136.25 19.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.648 2.232 . . . . 0.0 112.361 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.836 0.351 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.1 t -98.45 137.62 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.7 tp -114.36 132.92 56.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.9 mm -103.2 124.97 57.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -128.0 121.53 30.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.51 161.82 42.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.98 152.33 42.98 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 128.89 16.72 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.768 2.312 . . . . 0.0 112.328 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -44.39 167.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -48.81 -43.32 38.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -84.24 -23.62 30.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.03 53.66 0.95 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.476 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -143.8 128.13 17.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -84.68 -176.6 6.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' GLY . . . . . 0.465 ' HA3' ' CB ' ' A' ' 52' ' ' THR . . . -132.08 63.57 0.62 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.47 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 4.3 p90 -161.41 129.74 4.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.377 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' ASN . . . . . 0.402 ' CB ' ' HB3' ' A' ' 46' ' ' SER . 11.0 m120 -98.9 168.84 9.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.9 m -140.89 158.14 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -149.74 134.75 17.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.41 -154.33 16.76 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.09 170.9 16.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -49.04 -29.07 4.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.943 0.401 . . . . 0.0 110.892 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -54.93 -33.46 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 41' ' ' MET . 10.3 mt-30 -123.28 30.71 6.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' LYS . . . . . 0.404 ' N ' ' HD3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER 38.92 29.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' GLN . 15.2 ptm -123.59 153.06 66.14 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.545 0.688 . . . . 0.0 110.904 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 150.64 68.51 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.655 2.236 . . . . 0.0 112.376 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.6 t -86.73 104.34 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.3 mp -115.8 147.68 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.6 t -51.21 131.74 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' SER . . . . . 0.402 ' HB3' ' CB ' ' A' ' 32' ' ' ASN . 35.3 t -86.66 -63.94 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -145.98 162.56 37.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.2 t -137.71 155.4 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -134.7 148.32 66.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.6 0.714 . . . . 0.0 111.143 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.6 33.89 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.96 -5.63 61.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' THR . . . . . 0.465 ' CB ' ' HA3' ' A' ' 30' ' ' GLY . 37.5 p -95.29 152.31 39.28 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.578 0.704 . . . . 0.0 111.142 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 3.74 2.62 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.293 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -107.45 -24.36 11.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.06 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -94.37 -11.94 28.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 30.9 mt -105.05 -37.07 7.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 23.5 p -53.94 170.16 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' VAL . . . . . 0.507 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 59.4 t -140.91 133.66 14.41 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.665 0.745 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.74 133.68 26.52 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.339 -0.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -54.17 146.98 13.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' LEU . . . . . 0.412 HD22 ' CB ' ' A' ' 31' ' ' PHE . 14.0 tp -100.49 102.4 13.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -110.35 168.89 9.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -51.48 146.9 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.27 -44.24 1.55 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -49.49 95.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.715 0.293 . . . . 0.0 110.82 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -73.8 127.54 33.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.8 t -77.16 107.78 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.097 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.5 t -79.23 -44.32 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.6 mt -148.99 165.1 32.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' ILE . . . . . 0.44 ' O ' ' CG ' ' A' ' 73' ' ' ARG . 31.0 mt -126.05 113.2 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 53.61 41.58 32.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.45 -36.25 2.79 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' ARG . . . . . 0.544 ' HD3' ' CE2' ' A' ' 86' ' ' PHE . 4.9 ptm180 -78.81 157.62 28.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -95.72 148.84 22.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.8 pp -130.92 20.52 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.97 -29.91 64.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -70.82 -30.97 67.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' HIS . . . . . 0.6 ' CD2' ' CD ' ' A' ' 82' ' ' GLN . 12.0 m170 -79.19 173.04 12.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 80' ' ' HIS . 53.4 p -108.94 161.3 15.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' HIS . . . . . 0.559 ' C ' ' CD2' ' A' ' 80' ' ' HIS . 1.3 t60 -38.01 -49.14 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.83 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -51.58 -59.96 3.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' GLN . . . . . 0.6 ' CD ' ' CD2' ' A' ' 78' ' ' HIS . 51.4 mt-30 -51.54 -65.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 82' ' ' GLN . 66.4 t -35.11 -61.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 96.6 t -49.28 -43.69 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' LEU . . . . . 0.454 ' N ' HD22 ' A' ' 85' ' ' LEU . 4.3 mm? -64.67 -42.96 95.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PHE . . . . . 0.544 ' CE2' ' HD3' ' A' ' 73' ' ' ARG . 23.7 t80 -61.55 -55.23 33.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.4 mt -50.5 -55.41 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -31.9 70.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.838 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.895 0.379 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' LEU . . . . . 0.467 ' CD1' ' HG ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -90.98 118.86 30.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.959 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 16.8 mtt -125.29 118.79 26.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' LEU . . . . . 0.467 ' HG ' ' CD1' ' A' ' 98' ' ' LEU . 20.6 mt -125.25 131.43 53.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.0 tp -101.27 105.22 16.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 31.1 m -107.48 152.09 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -90.56 126.12 57.27 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -158.0 -177.27 6.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 m 61.38 46.26 7.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.03 -116.87 1.31 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.523 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t 63.08 45.36 5.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 m -151.68 130.15 12.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.48 117.03 0.7 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -162.0 138.73 8.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.02 -173.9 46.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -175.77 103.58 0.18 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.537 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -61.83 147.17 89.94 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.649 0.738 . . . . 0.0 111.111 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 147.11 62.13 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.679 2.252 . . . . 0.0 112.331 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -41.68 -49.39 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -43.01 160.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -120.2 45.42 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 82.3 mt -82.1 159.81 23.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.4 t -82.6 130.5 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 tp -104.47 128.38 52.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 4.7 mm -96.57 120.65 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.799 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 -113.0 118.88 36.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.8 ptp -156.85 169.25 25.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.36 150.8 65.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.571 0.7 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 154.15 67.98 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.625 2.217 . . . . 0.0 112.359 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -74.45 174.46 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -45.1 -55.27 5.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -74.27 -28.77 61.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.34 43.6 1.58 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.44 ' CZ ' ' HB2' ' A' ' 28' ' ' ARG . 19.9 mtm105 -124.63 144.18 50.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.886 0.374 . . . . 0.0 110.864 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.418 ' CE2' ' HG ' ' A' ' 98' ' ' LEU . 34.1 m-85 -105.44 178.14 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.425 ' HA3' ' CG2' ' A' ' 52' ' ' THR . . . -121.48 37.94 2.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 26.0 p90 -139.03 126.87 22.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -103.7 151.86 22.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.423 ' HB ' ' CG1' ' A' ' 43' ' ' VAL . 32.7 m -127.16 172.52 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.8 pttt -153.44 148.99 27.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.44 -174.84 27.54 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.473 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.99 170.7 12.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.5 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -42.53 -36.62 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 0.0 110.944 -179.786 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.9 t0 -53.22 -43.09 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 179.877 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 41' ' ' MET . 31.1 mm-40 -108.7 31.06 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 39' ' ' GLN . 0.4 OUTLIER 32.8 36.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 39' ' ' GLN . 16.9 ptm -130.07 152.67 80.43 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.836 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 154.02 68.25 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.423 ' CG1' ' HB ' ' A' ' 33' ' ' VAL . 21.9 t -89.23 106.48 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.97 140.68 43.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.446 HG13 ' N ' ' A' ' 46' ' ' SER . 96.5 t -50.54 143.19 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.867 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.446 ' N ' HG13 ' A' ' 45' ' ' VAL . 68.1 p -107.24 -52.42 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 -179.822 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.437 ' HD2' ' N ' ' A' ' 48' ' ' VAL . 2.9 tmm_? -145.7 144.11 30.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.437 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 96.8 t -131.12 117.04 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -90.15 152.6 46.18 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.558 0.694 . . . . 0.0 111.114 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.77 -169.47 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.326 -179.96 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 40.35 38.7 1.45 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.425 ' CG2' ' HA3' ' A' ' 30' ' ' GLY . 42.1 p -128.3 153.08 78.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.626 0.727 . . . . 0.0 111.132 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 2.83 3.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -110.42 -10.06 14.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -109.82 -21.8 12.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.2 mt -93.97 -27.68 16.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 18.8 p -67.92 165.92 16.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.53 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 84.1 t -134.77 137.39 27.32 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.594 0.712 . . . . 0.0 111.151 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.53 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.81 135.68 35.14 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.386 0.013 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -55.83 140.22 43.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.1 tp -89.66 93.05 9.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -88.57 168.23 12.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 79.0 mm-40 -63.3 138.48 58.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.72 -32.7 6.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -52.92 101.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.747 0.308 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -79.65 122.1 26.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.967 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 50.1 t -78.58 115.32 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 60.8 t -87.75 -35.45 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.918 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 56.2 mt -155.87 170.15 22.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.435 ' O ' ' N ' ' A' ' 73' ' ' ARG . 68.8 mt -135.53 133.13 52.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 21.9 p30 38.35 30.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.903 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . 77.3 42.41 18.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 70' ' ' ILE . 23.5 mmt180 -135.51 143.04 45.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.09 88.95 5.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.808 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.497 ' O ' ' CD1' ' A' ' 75' ' ' ILE . 2.5 pp -87.22 26.43 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.03 -39.01 17.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -87.51 26.23 1.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -124.93 125.84 44.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.818 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.432 ' O ' ' C ' ' A' ' 80' ' ' HIS . 37.4 p -67.44 155.85 38.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 79' ' ' THR . 55.5 t60 -35.66 -61.47 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -44.8 -48.27 10.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -64.02 -58.11 7.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.4 t -47.44 -57.11 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 77.3 t -47.35 -43.25 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.5 mt -69.54 -44.51 70.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -45.24 -61.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.0 mt -46.89 -50.08 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 -179.979 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 89' ' ' ALA . 22.9 mttm -54.62 -49.54 70.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 90' ' ' SER . . . -35.59 -53.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 89' ' ' ALA . 5.9 t -35.11 -47.12 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 92' ' ' GLU . 89.7 m -42.74 -52.84 4.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 91' ' ' CYS . 17.6 mt-10 -36.6 -60.6 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 41.8 ptt85 -84.01 131.0 34.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -77.93 -56.65 4.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 65.5 m -52.24 98.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 137.78 156.34 7.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.474 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -122.31 172.22 8.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.855 0.359 . . . . 0.0 110.895 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.418 ' HG ' ' CE2' ' A' ' 29' ' ' PHE . 0.7 OUTLIER -91.43 104.49 17.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 10.7 mtt -109.72 132.79 53.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.9 mt -128.72 114.66 16.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.962 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.4 tp -84.11 101.61 11.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.6 m -110.28 144.66 17.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.3 ptm180 -94.25 136.69 23.25 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.648 0.737 . . . . 0.0 110.813 -179.941 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 160.34 50.06 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -117.69 84.23 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.4 120.8 24.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.7 p -168.82 137.05 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -67.21 137.33 56.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -127.01 104.85 8.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 99.4 t -125.56 130.78 72.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.1 p -136.31 142.97 37.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -157.18 141.45 16.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -168.32 107.6 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.5 t -120.41 155.15 34.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -127.46 146.72 16.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -176.81 1.61 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.343 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.0 t -108.09 119.33 39.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 t -42.73 -57.62 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.832 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -80.72 -52.99 6.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 0.0 110.898 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.2 m -106.49 117.88 35.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.86 105.87 0.19 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -90.43 146.28 24.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 110.844 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 m -115.59 177.05 4.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.69 -138.93 2.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -157.35 165.82 34.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.938 0.399 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.26 157.81 41.18 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.3 176.44 0.93 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.4 pt -49.06 145.44 6.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.685 0.755 . . . . 0.0 111.156 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -49.34 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.703 2.269 . . . . 0.0 112.342 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 46.71 29.89 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.54 178.6 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -127.98 -53.31 1.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.62 155.24 30.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.442 ' CG1' ' HG3' ' A' ' 59' ' ' PRO . 96.8 t -102.75 129.97 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.1 tp -101.02 137.61 39.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 14.4 mm -111.12 120.43 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.2 mtm180 -115.07 127.93 55.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.7 ptp -158.38 157.0 31.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.402 ' C ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -120.91 148.52 48.82 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.598 0.713 . . . . 0.0 110.866 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 139.9 41.15 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.03 -176.35 1.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -56.45 -41.35 76.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -74.35 -16.19 60.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.51 45.94 12.92 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -135.85 147.72 48.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.558 ' CE2' HD21 ' A' ' 98' ' ' LEU . 69.1 m-85 -100.85 169.81 8.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.07 50.53 0.8 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.443 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 11.3 p90 -150.25 124.47 9.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -99.63 151.4 21.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.1 m -126.32 150.94 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -140.7 138.35 34.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.442 ' HA2' ' CG ' ' A' ' 41' ' ' MET . . . 116.96 165.75 13.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.453 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.55 -161.36 32.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -79.24 -41.24 28.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.839 0.352 . . . . 0.0 110.928 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -63.95 -36.1 82.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' LYS . 14.7 mm100 -92.21 11.65 24.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' GLN . 0.5 OUTLIER 34.86 53.4 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.442 ' CG ' ' HA2' ' A' ' 35' ' ' GLY . 13.3 ptm -148.84 152.76 37.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.59 0.71 . . . . 0.0 110.868 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 153.69 68.35 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.249 . . . . 0.0 112.315 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 46.0 t -87.57 106.02 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.95 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mp -121.96 141.88 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.448 ' CG1' ' CG2' ' A' ' 48' ' ' VAL . 66.7 t -50.66 102.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.6 t -55.4 -65.84 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 tpt85 -142.99 152.73 42.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.448 ' CG2' ' CG1' ' A' ' 45' ' ' VAL . 47.7 t -134.86 125.17 45.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.77 151.11 39.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.604 0.716 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.8 179.1 3.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 -179.92 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 44.99 46.41 9.49 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 17.7 p -131.13 154.56 82.03 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.579 0.704 . . . . 0.0 111.161 -179.848 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 0.42 5.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.734 2.29 . . . . 0.0 112.36 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.13 -16.04 14.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -102.09 -58.08 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.2 mt -53.62 -16.36 1.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 15.0 p -69.6 170.28 11.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.503 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 5.3 p -141.29 131.66 13.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.561 0.696 . . . . 0.0 111.175 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.503 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.3 Cg_endo -69.82 134.24 28.84 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.309 0.047 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -45.61 142.81 2.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.0 tp -91.36 85.18 5.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -89.64 146.66 24.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.0 mp0 -45.66 158.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 66' ' ' GLN . . . 91.89 -38.43 3.2 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -55.19 85.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.764 0.316 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 64' ' ' GLY . 39.7 tt0 -54.4 150.83 8.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.1 t -102.36 105.49 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 89.6 t -73.98 -50.24 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 68.5 mt -147.07 136.36 22.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 83.1 mt -106.13 126.09 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.84 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.9 m120 48.58 26.11 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 75.37 35.11 48.88 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -130.55 151.79 50.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.822 0.344 . . . . 0.0 110.846 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.408 ' O ' ' CD2' ' A' ' 78' ' ' HIS . 25.9 p-10 -80.32 120.07 23.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.7 pp -119.55 7.56 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.14 -47.79 55.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.141 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.68 -30.41 65.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.837 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.408 ' CD2' ' O ' ' A' ' 74' ' ' ASP . 42.5 m-70 -68.97 140.13 55.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 80' ' ' HIS . 62.0 p -76.08 156.8 33.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.432 ' CD2' ' C ' ' A' ' 80' ' ' HIS . 4.3 t60 -36.29 -62.42 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -46.93 -55.89 7.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.463 ' HA ' ' NE2' ' A' ' 82' ' ' GLN . 8.3 mm-40 -50.36 -60.32 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 90.0 t -45.7 -54.93 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.939 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.4 t -50.9 -38.77 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.3 mt -69.4 -50.53 45.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 30.5 t80 -43.99 -57.2 3.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.945 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 72.0 mt -47.61 -49.84 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -55.98 -44.66 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.422 ' O ' ' C ' ' A' ' 90' ' ' SER . . . -40.27 -46.94 2.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 89' ' ' ALA . 94.5 p -36.05 -44.63 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 6.2 m -45.36 -48.43 13.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -72.36 89.38 1.22 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -174.97 162.07 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -57.91 -58.5 8.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.6 t -167.2 161.14 14.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.413 ' C ' ' OE1' ' A' ' 97' ' ' GLU . . . 155.4 -177.73 32.42 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.413 ' OE1' ' C ' ' A' ' 96' ' ' GLY . 0.7 OUTLIER -126.97 169.09 13.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.349 . . . . 0.0 110.948 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.558 HD21 ' CE2' ' A' ' 29' ' ' PHE . 10.3 tp -99.03 130.64 45.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 27.0 mtp -129.49 126.27 38.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.0 mt -122.62 123.51 41.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.0 tp -90.87 101.87 14.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.7 m -111.81 163.68 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.5 ttm-85 -104.92 137.03 19.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.612 0.72 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 146.81 61.37 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -116.02 79.68 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.54 113.73 5.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 60.3 t -135.7 135.39 51.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.469 ' C ' ' CD1' ' A' ' 108' ' ' TYR . 3.0 p90 -87.58 137.92 31.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -167.21 135.6 2.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.458 HG12 ' N ' ' A' ' 111' ' ' VAL . 60.4 t -70.31 142.73 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.998 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.458 ' N ' HG12 ' A' ' 110' ' ' VAL . 14.4 p -130.69 132.64 64.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.907 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -126.95 153.79 45.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -170.57 114.61 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.5 t -146.93 123.07 10.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -150.79 79.04 0.21 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -170.48 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.258 . . . . 0.0 112.319 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 12.9 m -152.78 151.72 30.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.9 t 41.08 43.6 1.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -157.54 153.48 27.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.881 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.0 t -60.24 159.24 10.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.66 -164.78 45.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.9 m -82.09 87.82 6.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.824 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 t -154.02 145.18 22.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.42 -152.58 7.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -100.54 95.63 6.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.366 . . . . 0.0 110.937 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.02 105.24 0.39 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.453 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -146.7 68.84 0.38 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.401 HD13 ' N ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -44.12 147.97 0.87 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.622 0.725 . . . . 0.0 111.115 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 178.31 4.68 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -86.01 95.51 9.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -93.51 -39.51 10.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -64.64 -47.56 78.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.27 141.2 52.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.957 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.0 t -88.22 145.65 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.3 tp -121.92 141.02 51.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.426 HG21 ' N ' ' A' ' 20' ' ' ARG . 21.5 mm -113.15 144.82 20.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.426 ' N ' HG21 ' A' ' 19' ' ' ILE . 56.1 mtm180 -138.01 123.77 19.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.97 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.5 ptp -160.55 160.68 32.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.93 144.08 36.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.563 0.697 . . . . 0.0 110.927 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . 0.473 ' HD3' ' CZ ' ' A' ' 29' ' ' PHE . 54.2 Cg_endo -69.71 89.14 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.691 2.261 . . . . 0.0 112.356 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' GLU . 27.1 t70 -122.3 -71.21 0.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 24' ' ' ASP . 15.1 mp0 -35.53 -60.03 0.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -124.38 19.14 8.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.44 23.66 35.58 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -155.44 154.34 31.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.473 ' CZ ' ' HD3' ' A' ' 23' ' ' PRO . 26.2 m-85 -89.23 132.9 34.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -90.41 73.79 1.84 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.524 -179.954 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.459 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 7.5 p90 -158.5 128.01 5.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -102.6 166.01 10.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.9 m -140.38 168.89 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -153.98 171.79 18.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.8 -154.59 34.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 130.23 169.0 12.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -54.36 -21.33 9.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.924 0.392 . . . . 0.0 110.946 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -65.28 -38.88 91.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -108.22 25.07 12.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.4 39.58 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.6 ptm -131.18 151.96 79.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.559 0.695 . . . . 0.0 110.844 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 155.93 64.64 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 179.961 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.0 t -87.93 107.56 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.9 mp -117.65 141.45 36.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 78.1 t -51.91 128.27 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.175 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.3 t -82.64 -63.29 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -143.38 163.79 32.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 21.1 t -140.4 117.36 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.964 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.83 149.81 60.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.627 0.727 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 175.4 8.15 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 47.12 49.03 19.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.2 p -131.86 155.02 81.9 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.721 . . . . 0.0 111.159 -179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 2.72 3.26 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.668 2.245 . . . . 0.0 112.33 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.55 -18.58 14.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.091 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -97.14 -51.2 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.06 -22.04 66.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.7 p -64.72 161.95 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.456 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 52.5 t -124.93 125.05 25.43 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.678 0.751 . . . . 0.0 111.092 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.456 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.3 Cg_endo -69.8 179.43 22.41 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.337 -0.028 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -89.44 121.83 32.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.0 tp -69.58 94.61 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -99.88 163.06 12.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.57 150.18 36.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.65 -39.58 2.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -51.98 105.07 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.745 0.307 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -72.61 117.6 14.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.8 t -69.11 108.6 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 63.7 t -83.01 -54.74 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.936 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 85.2 mt -140.99 143.24 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 94.9 mt -111.48 113.39 44.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 55.1 m-20 58.86 45.58 15.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.21 33.09 57.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.426 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -127.91 143.78 51.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.807 0.337 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -80.03 109.41 14.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.6 pp -113.71 18.04 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -179.984 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.75 -18.39 60.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -96.2 1.76 52.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -96.57 148.08 23.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 80' ' ' HIS . 34.4 p -88.46 156.24 19.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.495 ' C ' ' CD2' ' A' ' 80' ' ' HIS . 2.3 t60 -35.09 -55.45 0.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -56.17 -59.57 4.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -49.83 -63.11 1.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.9 t -40.35 -55.2 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.4 t -47.42 -45.6 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.913 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.9 mp -71.58 -32.5 68.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -57.94 -42.61 85.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.0 mt -67.84 -37.48 78.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.08 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -57.32 -44.41 84.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 90' ' ' SER . . . -38.9 -46.92 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 89' ' ' ALA . 3.3 m -35.22 -44.38 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.5 t -43.77 -54.2 5.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -100.95 78.44 1.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -158.69 132.95 7.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.426 ' CG ' ' H ' ' A' ' 95' ' ' SER . 38.4 p-80 -38.84 -57.21 1.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.99 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.426 ' H ' ' CG ' ' A' ' 94' ' ' HIS . 1.8 t -46.42 -69.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.797 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.66 -85.02 0.91 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -43.94 117.72 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.936 0.398 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.464 ' HG ' ' N ' ' A' ' 99' ' ' MET . 0.1 OUTLIER -92.53 153.87 18.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.464 ' N ' ' HG ' ' A' ' 98' ' ' LEU . 6.2 mtt -136.91 141.61 42.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.4 mt -124.91 113.69 18.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.3 tp -84.64 101.12 11.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.3 m -105.42 169.06 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.1 ttt85 -107.95 136.19 19.77 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 142.65 48.34 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -124.54 36.62 4.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -102.97 169.6 8.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 85.2 t -134.19 134.26 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -82.08 122.92 28.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 110' ' ' VAL . 2.5 p30 -147.34 149.31 32.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.845 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 109' ' ' ASP . 2.5 p -34.58 149.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 84.4 t -115.86 85.06 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -111.39 116.65 31.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -165.46 108.49 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 53.4 p -83.23 146.69 28.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -174.28 168.75 41.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.546 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 109.88 2.41 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.262 . . . . 0.0 112.382 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.7 p -98.98 160.11 14.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.4 p -120.55 101.74 7.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.556 -179.939 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -112.98 141.99 46.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -150.21 175.01 12.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.9 102.77 2.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -108.97 144.8 36.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 t -82.64 125.3 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.24 -167.75 0.21 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -77.57 139.98 39.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.917 0.389 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.64 70.8 0.27 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.33 170.56 26.24 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.519 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.464 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 54.7 mt -83.39 138.53 41.68 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.582 0.706 . . . . 0.0 111.137 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.464 ' HD2' ' CG2' ' A' ' 11' ' ' ILE . 53.8 Cg_endo -69.73 151.11 69.15 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' ASP . 59.0 t-80 -81.88 91.08 6.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' HIS . 2.5 m-20 -38.16 106.59 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -100.19 -46.27 5.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.402 ' CD2' ' HG3' ' A' ' 103' ' ' ARG . 29.9 mt -88.77 159.5 17.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.1 t -96.66 148.66 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 tp -124.23 142.09 51.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.8 mm -105.14 134.36 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.848 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.7 mtm-85 -133.59 126.5 31.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -154.6 174.46 14.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -125.33 148.93 62.69 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.573 0.701 . . . . 0.0 110.909 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 130.66 19.66 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.67 2.247 . . . . 0.0 112.324 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -52.45 -176.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -54.84 -59.92 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -67.42 -18.28 65.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.81 46.98 3.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.43 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -131.74 148.48 52.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -100.56 -177.87 3.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.425 ' HA3' ' CG2' ' A' ' 52' ' ' THR . . . -136.07 50.88 0.83 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 8.4 p90 -147.05 127.27 13.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -99.15 161.11 13.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.7 m -134.26 161.49 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -151.32 163.14 39.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 73.66 155.21 3.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.481 179.936 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -173.19 -156.46 13.03 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -74.4 -37.68 63.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.868 0.366 . . . . 0.0 110.938 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -63.11 -14.65 51.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -115.88 7.58 14.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt 52.98 27.63 5.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 17.5 ptm -129.16 152.58 79.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.545 0.688 . . . . 0.0 110.869 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.411 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 54.1 Cg_endo -69.71 156.97 62.09 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.67 2.247 . . . . 0.0 112.372 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 54.9 t -86.91 106.3 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.884 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.411 ' CD1' ' O ' ' A' ' 42' ' ' PRO . 4.1 mp -115.48 149.76 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 32.1 t -58.37 127.56 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 t -80.23 -62.24 1.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -144.88 155.41 43.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.9 t -139.53 113.73 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.47 151.0 71.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 111.067 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 167.64 23.86 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.656 2.238 . . . . 0.0 112.321 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.56 34.97 78.27 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.544 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.425 ' CG2' ' HA3' ' A' ' 30' ' ' GLY . 18.9 p -116.94 154.61 49.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.589 0.709 . . . . 0.0 111.132 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -3.29 11.74 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.4 -8.73 18.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -102.78 -50.94 3.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.95 -10.9 59.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.9 p -71.72 174.35 6.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.496 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 4.6 p -142.98 129.4 10.53 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.575 0.702 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.496 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.81 134.4 29.47 Favored 'Cis proline' 0 C--O 1.231 0.148 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.313 -0.04 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.5 ttt180 -52.64 122.84 9.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.0 tp -77.06 99.87 5.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -107.16 160.03 15.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -49.16 139.77 10.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.8 -33.66 6.16 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.31 90.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -69.42 119.35 13.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.5 t -78.7 125.66 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 48.3 t -98.28 -56.05 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 17.7 mt -137.95 139.87 39.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.973 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 95.0 mt -104.65 117.12 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.82 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 56.74 26.84 11.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.06 38.36 19.24 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -130.62 148.61 52.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -83.16 86.0 7.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.4 HD12 ' C ' ' A' ' 75' ' ' ILE . 2.7 pp -88.44 -17.69 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.67 -27.95 69.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -82.08 -7.11 59.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -101.58 149.41 24.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 81.2 p -64.9 162.82 15.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -55.72 -58.3 8.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -41.37 -65.8 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -44.62 -56.02 4.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 86' ' ' PHE . 20.0 t -44.74 -58.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 85.6 t -44.81 -44.81 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.9 mp -71.51 -25.31 62.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 83' ' ' VAL . 7.9 t80 -60.26 -57.55 12.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 22.9 mt -65.14 -35.83 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -57.08 -42.49 80.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 90' ' ' SER . . . -40.24 -44.21 1.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 89' ' ' ALA . 77.5 p -35.65 -40.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 76.4 m -40.39 -50.52 2.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 94' ' ' HIS . 9.5 tt0 -69.87 -38.97 76.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -56.09 88.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.404 ' N ' ' O ' ' A' ' 92' ' ' GLU . 2.8 p80 -40.6 -39.02 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 68.5 m -140.6 129.34 23.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.77 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 159.84 88.04 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.519 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -46.92 172.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.914 0.388 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.0 tp -113.74 107.74 16.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 24.4 mtp -108.75 99.2 8.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 2.1 mt -103.61 124.61 49.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.988 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.0 tp -90.43 100.68 13.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 6.0 m -103.47 156.44 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.402 ' HG3' ' CD2' ' A' ' 16' ' ' LEU . 33.9 ttt180 -101.75 136.8 19.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 110.83 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 165.91 29.39 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -125.17 44.32 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -85.46 20.6 2.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 108' ' ' TYR . 32.8 m -55.56 159.75 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.446 ' C ' ' O ' ' A' ' 107' ' ' VAL . 8.1 t80 -34.62 132.86 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -170.69 145.31 2.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 95.6 t -109.62 134.39 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 95.9 t -147.75 137.81 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -161.94 151.55 16.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -92.27 77.21 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.1 m -98.26 116.89 31.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 153.77 82.27 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.462 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -29.08 24.52 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.723 2.282 . . . . 0.0 112.376 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.7 m 38.73 43.87 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.4 t -70.68 135.03 48.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.452 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -156.29 116.47 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.379 . . . . 0.0 110.843 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 t -123.32 118.54 27.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.55 -166.96 11.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.511 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.9 p -152.31 152.12 31.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.38 . . . . 0.0 110.837 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -110.21 163.92 13.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.77 144.9 4.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -161.39 111.62 1.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.33 120.41 6.43 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.01 75.72 0.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.531 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.9 pt -54.74 144.6 44.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.613 0.72 . . . . 0.0 111.141 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 169.39 19.05 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.691 2.261 . . . . 0.0 112.389 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -86.97 -68.39 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -66.4 169.13 7.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -82.6 81.34 8.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.447 ' N ' HD21 ' A' ' 16' ' ' LEU . 4.5 mm? -74.35 155.44 38.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.1 t -93.84 120.81 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.1 tp -97.56 133.19 42.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 22.4 mm -104.59 104.52 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -99.49 117.17 33.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.4 ptp -147.14 174.68 11.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -128.01 150.83 74.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.558 0.694 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 133.13 24.86 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.725 2.283 . . . . 0.0 112.36 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -49.84 179.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -53.45 -57.0 12.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -70.23 -20.73 63.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.67 43.82 1.9 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -126.19 156.33 40.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -113.07 179.13 4.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -131.72 65.04 0.6 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.475 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 8.0 p90 -165.23 128.41 2.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -104.81 164.54 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.2 m -134.16 162.74 38.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -152.51 137.92 17.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.58 -171.93 14.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.498 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.76 174.81 13.53 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.544 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -53.82 -33.31 55.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.875 0.369 . . . . 0.0 110.899 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -54.02 -34.1 59.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 40' ' ' LYS . 68.1 mt-30 -118.67 28.98 7.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.457 ' N ' ' HD3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER 35.3 41.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.9 ptm -137.2 151.93 72.62 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.563 0.697 . . . . 0.0 110.915 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.426 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 53.8 Cg_endo -69.79 142.37 47.62 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.329 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.2 t -79.99 108.16 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.426 ' CD1' ' O ' ' A' ' 42' ' ' PRO . 5.0 mp -116.07 148.74 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 71.4 t -52.65 124.22 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.4 t -77.71 -66.11 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.438 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 17.8 tpp85 -142.9 154.93 44.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.438 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 88.3 t -136.5 113.7 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.53 149.31 78.12 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 0.0 111.123 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 163.65 37.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.379 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 51.67 56.53 15.38 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 p -134.55 157.0 78.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.6 0.714 . . . . 0.0 111.143 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -0.39 6.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.709 2.273 . . . . 0.0 112.291 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.19 -14.13 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -102.49 -54.86 2.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.1 mt -58.88 -18.89 37.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.4 p -66.0 147.81 52.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.441 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 97.2 t -115.0 124.88 29.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.62 0.724 . . . . 0.0 111.127 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.441 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.76 163.81 80.87 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.737 -1.776 . . . . 0.0 112.358 -0.07 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -78.29 134.13 37.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.1 tp -90.12 99.76 12.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -108.11 160.15 16.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -52.09 132.38 32.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.64 -43.81 1.41 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.33 102.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -71.81 119.76 16.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.86 116.43 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 59.7 t -95.52 -54.87 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.874 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 13.0 mt -140.25 140.57 35.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 60.9 mt -99.35 123.7 52.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.4 p30 43.38 34.71 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.28 44.76 12.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.445 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -135.81 144.84 45.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 110.872 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.89 110.91 18.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.446 ' O ' ' CD1' ' A' ' 75' ' ' ILE . 2.8 pp -126.53 32.41 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -88.97 -41.81 12.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.074 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -73.36 -30.41 63.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -65.38 144.38 57.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 80' ' ' HIS . 59.3 p -78.23 151.96 32.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.407 ' C ' ' O ' ' A' ' 79' ' ' THR . 44.4 t60 -36.66 -59.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -38.65 -61.59 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 83' ' ' VAL . 10.0 tm0? -49.01 -67.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 86' ' ' PHE . 58.1 t -37.18 -65.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.41 ' C ' ' O ' ' A' ' 83' ' ' VAL . 69.2 t -35.96 -48.67 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.7 mp -70.27 -41.26 73.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 83' ' ' VAL . 3.1 t80 -44.87 -58.97 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.7 mt -54.34 -51.21 50.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -48.39 -48.0 37.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.98 -46.42 16.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.09 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.4 t -39.53 -54.71 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 44.6 t -40.63 -44.7 2.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -69.88 -58.67 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -60.57 121.16 11.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -89.73 96.23 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 80.2 p -124.29 -55.69 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.815 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.25 -126.42 0.88 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.532 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -107.41 170.77 7.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.381 . . . . 0.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.23 118.88 25.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.978 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.9 mtp -120.17 138.45 53.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.828 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.4 mt -136.39 132.71 35.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.6 tp -98.88 99.62 10.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 25.4 m -105.45 150.97 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -89.97 133.63 33.4 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.565 0.697 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 123.4 10.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 105' ' ' ASN . 11.5 p-10 -103.58 75.99 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -41.04 99.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.068 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 27.9 m -83.09 138.28 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -75.0 173.89 10.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -122.61 78.45 1.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.4 p -114.63 126.77 72.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 91.9 t -80.13 92.32 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -154.22 125.75 7.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -158.13 107.13 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 58.7 m -112.71 136.39 52.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -133.86 78.58 0.35 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 167.44 24.43 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 0.0 112.32 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 68.4 m -132.84 -50.22 0.89 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 11.7 t -45.81 141.78 2.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.829 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.502 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 m -136.82 136.51 38.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.6 m -122.17 130.27 53.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.55 96.29 0.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 m -135.44 175.16 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.36 . . . . 0.0 110.871 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.3 p -143.38 155.41 44.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.76 93.34 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -169.59 138.5 1.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.892 0.377 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 174.81 67.36 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -155.69 172.1 33.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.472 ' CG2' ' HD2' ' A' ' 12' ' ' PRO . 74.2 mt -124.07 138.64 31.05 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.595 0.712 . . . . 0.0 111.098 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . 0.472 ' HD2' ' CG2' ' A' ' 11' ' ' ILE . 53.9 Cg_endo -69.79 163.14 39.42 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -120.73 -51.51 2.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.46 108.11 19.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -75.7 88.94 2.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.8 mt -107.92 156.07 19.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 92.0 t -103.0 135.28 41.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 12.9 tp -109.25 140.86 42.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.957 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.7 mm -114.77 107.18 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -104.47 129.04 52.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.11 164.31 36.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.72 152.58 45.64 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.587 0.708 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 125.65 12.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.377 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -54.34 177.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -46.2 -48.63 17.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -83.98 -25.58 29.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.28 -33.64 3.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.444 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -49.66 128.51 17.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 37.3 m-85 -78.33 -58.13 3.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.942 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 122.01 46.54 0.3 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.475 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -163.32 143.6 8.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.917 0.389 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -115.75 168.37 10.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.1 m -136.12 157.41 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -147.21 166.32 27.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.22 -142.15 17.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.52 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 112.0 161.75 16.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.523 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -41.51 -34.42 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.885 0.374 . . . . 0.0 110.912 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -55.18 -44.65 75.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -100.02 29.07 4.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt 39.21 32.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 19.7 ptm -132.81 150.93 77.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 110.875 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 158.42 57.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.368 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.1 t -76.45 105.22 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 14.1 mm -111.81 140.94 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.9 t -53.33 124.56 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -77.94 -63.94 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 16.7 tpt180 -146.13 151.71 38.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.441 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 57.6 t -137.68 107.8 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.7 143.46 71.6 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.639 0.733 . . . . 0.0 111.086 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 168.85 20.4 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.54 30.05 76.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.4 p -122.26 154.2 61.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.717 . . . . 0.0 111.119 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 1.03 4.82 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.64 2.227 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.96 -20.65 16.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.425 ' OD1' ' NE ' ' A' ' 60' ' ' ARG . 7.6 t70 -99.07 -61.62 1.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.9 mt -49.25 -18.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 9.1 p -64.81 166.57 8.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.467 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 2.1 p -135.92 125.2 15.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.731 . . . . 0.0 111.169 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.467 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 54.1 Cg_endo -69.78 133.69 26.66 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.35 -0.026 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.425 ' NE ' ' OD1' ' A' ' 55' ' ' ASP . 36.7 ttt180 -54.76 133.23 47.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.5 tp -76.17 100.43 5.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -103.77 162.39 13.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -57.7 141.27 49.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 111.65 -42.12 2.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 -179.966 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -38.31 114.2 0.35 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.804 0.335 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -87.73 105.22 17.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.4 t -70.2 121.85 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.081 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.6 t -99.64 -46.07 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.861 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.417 ' CD2' ' HA ' ' A' ' 74' ' ' ASP . 76.1 mt -140.0 141.3 36.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.445 ' CD1' HG22 ' A' ' 75' ' ' ILE . 43.5 mt -105.95 102.66 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 m120 63.21 30.38 15.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.75 39.45 11.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.457 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -135.2 140.68 45.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.33 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.417 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 65.6 m-20 -67.63 115.36 7.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.445 HG22 ' CD1' ' A' ' 70' ' ' ILE . 2.5 pp -124.21 -10.63 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.1 -7.89 57.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -109.57 17.76 21.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -125.67 156.1 39.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 42.5 p -72.37 172.61 10.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.179 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -54.24 -52.73 60.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.92 -63.12 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -42.27 -61.09 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.1 t -44.76 -62.05 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.444 ' CG1' ' HD2' ' A' ' 88' ' ' LYS . 37.3 t -43.81 -56.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.31 -32.83 67.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -58.96 -48.87 79.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 9.8 mt -77.5 -49.41 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.109 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.444 ' HD2' ' CG1' ' A' ' 84' ' ' VAL . 29.9 mtpt -50.36 -51.3 47.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' LYS . . . -36.64 -47.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.2 t -41.28 -46.45 3.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 7.0 t -43.74 -52.6 6.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -92.66 40.63 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -160.61 112.15 1.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -67.95 107.12 2.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.2 t -111.01 -57.75 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 129.63 -60.3 0.68 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.438 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -143.13 145.3 32.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -118.48 142.38 47.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.953 -179.988 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.7 mtt -129.39 141.35 51.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.879 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.6 mt -125.75 122.97 37.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.998 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.8 tp -90.0 102.98 15.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.1 m -106.86 155.19 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 179.836 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -97.8 135.91 21.37 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.563 0.697 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 138.14 37.1 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.373 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -87.4 -42.38 12.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -155.02 160.6 41.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.5 p -109.82 141.64 24.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -131.78 135.49 46.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -100.96 102.0 12.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.81 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 84.8 t -94.81 111.52 25.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.429 HG23 ' N ' ' A' ' 112' ' ' GLU . 10.6 p -108.22 155.37 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.429 ' N ' HG23 ' A' ' 111' ' ' VAL . 10.7 tp10 -98.29 108.81 21.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -52.5 -33.68 46.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.2 p -132.56 94.86 3.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.03 -76.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 145.25 56.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.328 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.2 p -86.67 116.62 24.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.5 t -126.56 -58.85 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -143.82 125.9 15.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.899 0.381 . . . . 0.0 110.859 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.5 t -124.64 125.31 43.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.45 -52.98 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 m -156.17 143.29 19.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.367 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 t -82.54 109.63 16.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.11 -158.25 18.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.441 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -115.39 -55.09 2.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.358 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.54 -49.17 25.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.443 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 51.28 77.72 0.12 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.4 pt -56.14 144.26 60.53 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.634 0.731 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 155.66 65.3 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.399 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -71.92 151.16 43.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.47 -63.44 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -51.31 -46.74 62.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 16.4 mt -92.64 145.46 24.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.943 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 96.5 t -88.32 117.37 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.873 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 19.1 tp -93.95 142.11 27.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.3 mm -117.79 113.32 41.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -115.68 120.37 39.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.4 ptp -151.61 167.87 26.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -116.79 153.39 49.26 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.604 0.716 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 112.42 3.07 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -50.89 177.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -47.57 -54.46 11.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -84.77 29.37 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 45.21 48.86 10.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.525 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -126.48 113.58 17.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.357 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.534 ' CE1' HD21 ' A' ' 98' ' ' LEU . 38.7 m-85 -56.49 -56.79 16.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . 114.33 46.32 0.64 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.488 ' CG ' HD23 ' A' ' 61' ' ' LEU . 14.5 p90 -165.34 152.14 10.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 -179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -117.19 161.55 19.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.8 m -128.61 159.56 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -147.94 146.93 29.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.89 163.41 39.18 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 179.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.5 165.94 27.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -42.66 -40.15 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.872 0.368 . . . . 0.0 110.923 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.21 -40.81 25.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 40' ' ' LYS . 30.6 mt-30 -106.55 35.35 3.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 39' ' ' GLN . 14.7 mmmt 34.41 41.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.3 ptm -141.52 153.12 65.12 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.482 0.658 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.469 ' HG2' ' CD1' ' A' ' 44' ' ' ILE . 53.8 Cg_endo -69.72 161.53 45.58 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.248 . . . . 0.0 112.324 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 62.0 t -96.37 98.17 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.155 179.884 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.469 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 4.7 mp -107.01 144.81 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.441 ' N ' HG21 ' A' ' 44' ' ' ILE . 97.3 t -50.32 136.96 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.897 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 t -93.36 -62.56 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.815 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.456 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 9.1 tpp180 -144.76 152.39 40.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.456 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 48.1 t -134.81 127.93 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.138 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.35 145.76 30.21 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.556 0.693 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 174.9 8.85 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.328 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.48 40.95 93.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.7 p -134.45 152.35 77.77 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.611 0.72 . . . . 0.0 111.075 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 2.75 3.26 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.65 2.234 . . . . 0.0 112.328 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -102.49 -19.73 14.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -98.39 -52.52 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.0 mt -58.67 -32.77 69.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 22.1 p -53.54 158.12 1.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.465 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 19.9 t -120.85 124.64 27.4 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.635 0.731 . . . . 0.0 111.086 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.465 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.1 Cg_endo -69.8 173.18 45.81 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.349 -0.031 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -85.7 119.63 26.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.488 HD23 ' CG ' ' A' ' 31' ' ' PHE . 33.9 tp -70.86 91.47 0.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.956 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -108.6 169.01 8.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -52.04 149.33 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.55 -44.15 1.53 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -44.37 106.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.748 0.308 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -85.98 114.65 23.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.3 t -69.08 127.16 30.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 39.5 t -105.13 -47.17 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.894 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.457 ' CD2' ' HA ' ' A' ' 74' ' ' ASP . 14.7 mt -149.92 146.55 27.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.414 ' CG1' HG21 ' A' ' 75' ' ' ILE . 7.3 mm -100.96 116.26 44.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 52.26 38.86 25.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 69.41 41.05 79.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.539 ' HD2' ' CZ ' ' A' ' 86' ' ' PHE . 23.4 ttm-85 -131.21 145.35 51.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.457 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 25.9 t0 -69.85 112.89 6.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.439 HD11 ' N ' ' A' ' 76' ' ' ALA . 2.6 pp -120.97 -31.95 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.439 ' N ' HD11 ' A' ' 75' ' ' ILE . . . -51.93 -16.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -99.85 21.09 13.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -128.65 161.08 30.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 80' ' ' HIS . 80.7 p -77.19 149.16 35.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.457 ' CD2' HG23 ' A' ' 84' ' ' VAL . 10.9 t-160 -35.14 -60.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -39.72 -61.11 0.87 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -41.41 -52.68 3.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.8 t -54.15 -51.66 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.457 HG23 ' CD2' ' A' ' 80' ' ' HIS . 97.7 t -57.36 -43.62 82.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.46 -41.8 93.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.539 ' CZ ' ' HD2' ' A' ' 73' ' ' ARG . 6.3 t80 -60.64 -59.23 5.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 67.9 mt -43.13 -65.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 89' ' ' ALA . 45.7 mttm -52.79 -51.69 59.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 88' ' ' LYS . . . -34.24 -55.94 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 89' ' ' ALA . 7.7 t -34.96 -55.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 10.0 t -42.66 -51.79 5.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -67.75 -44.61 77.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 41.2 mtt-85 -47.52 -46.68 27.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.836 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -172.13 168.63 5.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.3 t -112.14 94.3 4.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -145.01 -79.65 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -166.58 165.94 16.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.534 HD21 ' CE1' ' A' ' 29' ' ' PHE . 16.7 tp -119.92 126.06 49.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 5.4 ttm -108.25 103.46 12.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.854 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 14.0 mt -102.46 153.56 19.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.994 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.2 tp -123.05 100.92 7.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.3 m -109.06 142.4 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.108 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -88.22 136.75 31.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.595 0.712 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 137.67 35.91 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.616 2.21 . . . . 0.0 112.337 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -117.09 96.66 5.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -83.84 23.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 91.7 t -109.71 111.4 35.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -129.07 174.82 9.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.69 155.11 25.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.821 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 97.1 t -117.16 103.93 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.5 p -109.77 147.64 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -152.29 150.28 29.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -172.96 107.63 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 82.7 p -125.25 165.49 18.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -157.78 145.02 11.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 176.41 6.82 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.659 2.239 . . . . 0.0 112.379 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 54.7 m -116.72 135.43 53.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.7 m -99.12 -52.33 3.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 -179.944 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -138.35 151.44 47.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -89.17 130.67 35.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.63 -168.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.516 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -143.09 156.49 44.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.5 p -79.07 146.31 33.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.56 -125.63 35.11 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.538 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -140.87 149.7 42.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.13 166.31 15.56 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.22 59.71 0.65 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.518 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.416 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -41.04 149.56 0.34 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.62 0.724 . . . . 0.0 111.136 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 138.35 37.55 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.308 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -132.82 162.21 32.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -80.94 96.35 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -49.62 -46.29 49.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.94 152.61 40.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.432 ' CG1' HG23 ' A' ' 102' ' ' VAL . 10.2 p -91.45 149.63 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 9.1 tp -114.57 144.97 42.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.975 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.0 mm -116.73 123.68 71.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.886 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -121.64 136.98 54.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -162.8 156.42 20.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 179.989 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -118.05 149.53 45.71 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.629 0.728 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 149.31 66.72 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.2 -176.06 5.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.818 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -49.94 -53.12 28.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -67.01 -18.95 65.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.43 43.25 10.61 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.5 mtp85 -140.12 144.95 37.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.429 ' CE2' ' CD1' ' A' ' 98' ' ' LEU . 95.8 m-85 -96.42 -177.28 3.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -128.5 73.06 0.46 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.928 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.451 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 25.6 p90 -165.37 130.44 2.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.372 . . . . 0.0 110.903 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -107.71 158.2 17.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.8 m -132.93 166.63 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -151.42 134.28 15.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 108.53 157.15 18.72 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.28 -159.46 18.76 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.436 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.448 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 35.6 t80 -79.15 -30.11 43.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.923 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.444 ' HB3' ' NE2' ' A' ' 39' ' ' GLN . 2.3 t70 -71.03 -38.23 72.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.444 ' NE2' ' HB3' ' A' ' 38' ' ' ASP . 19.8 mp0 -88.63 15.11 8.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.4 mttt 42.5 29.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.7 ptm -130.44 152.41 80.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.561 0.696 . . . . 0.0 110.869 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.436 ' HG2' ' CD1' ' A' ' 44' ' ' ILE . 53.9 Cg_endo -69.77 157.32 60.77 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.332 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 60.5 t -91.61 99.85 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.931 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.436 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 4.2 mp -114.16 142.87 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 74.2 t -53.38 128.39 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.3 p -87.45 -63.77 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -138.72 149.63 45.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.1 t -135.77 119.38 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.07 146.21 48.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.576 0.703 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 177.91 5.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.736 2.291 . . . . 0.0 112.324 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.52 35.66 45.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 22.7 p -123.84 154.09 67.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.541 0.686 . . . . 0.0 111.151 -179.859 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 2.45 3.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.378 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -110.97 -13.45 14.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -107.47 -8.82 16.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.0 mt -108.64 -29.19 8.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.1 p -54.1 155.6 3.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.441 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 38.3 t -117.84 124.72 28.56 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.721 . . . . 0.0 111.129 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.441 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.75 169.6 62.51 Favored 'Cis proline' 0 C--N 1.341 0.152 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.328 -0.024 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -83.7 139.21 32.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 24.7 tp -86.29 84.4 7.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -85.84 150.33 24.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -50.32 137.95 17.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 66' ' ' GLN . . . 111.53 -34.39 5.29 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.429 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -51.99 90.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.794 0.331 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 64' ' ' GLY . 10.9 tt0 -64.43 122.71 17.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.4 t -80.99 127.3 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.1 t -102.14 -34.46 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.452 ' CD2' ' HA ' ' A' ' 74' ' ' ASP . 72.1 mt -151.44 132.85 14.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 99.0 mt -104.61 105.54 18.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 61.96 40.06 12.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.841 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.57 46.82 82.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 10.4 tpt180 -137.82 125.75 22.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.341 . . . . 0.0 110.836 -179.833 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.452 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -61.95 88.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 1.9 pp -93.85 -15.74 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.96 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.29 -24.16 6.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.085 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 37' ' ' TYR . 8.4 mm-40 -95.72 -29.02 14.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -64.09 142.76 58.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.9 p -70.72 153.37 42.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 31.0 t60 -47.49 -47.05 27.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.26 -61.94 1.92 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 83' ' ' VAL . 47.1 mm-40 -54.85 -63.9 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.421 ' C ' ' O ' ' A' ' 82' ' ' GLN . 31.5 t -36.15 -62.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.432 ' CG1' ' HE2' ' A' ' 88' ' ' LYS . 20.9 t -41.93 -47.44 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.5 mp -68.48 -46.98 68.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.6 t80 -42.59 -45.33 4.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.95 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 52.3 mt -61.18 -45.22 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.432 ' HE2' ' CG1' ' A' ' 84' ' ' VAL . 0.0 OUTLIER -64.91 -25.6 67.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.823 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.406 ' O ' ' C ' ' A' ' 90' ' ' SER . . . -50.65 -38.97 49.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 89' ' ' ALA . 15.1 t -38.04 -53.04 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 52.8 t -41.4 -47.93 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -96.02 41.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.3 mmt85 -135.83 171.94 13.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -47.44 99.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.7 m -50.81 100.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -143.75 -75.06 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -172.63 167.18 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.905 0.383 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.429 ' CD1' ' CE2' ' A' ' 29' ' ' PHE . 1.2 tt -118.02 133.87 55.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 5.2 ttm -129.47 120.49 25.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.83 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.7 mt -117.68 158.59 24.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.958 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 8.9 tp -119.38 106.06 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.432 HG23 ' CG1' ' A' ' 17' ' ' VAL . 16.1 m -117.38 160.75 16.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -105.06 128.31 26.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.583 0.706 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 148.48 65.49 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.381 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -95.52 77.62 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.56 149.52 38.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 2.9 t -116.22 141.73 32.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -67.68 -11.55 58.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.7 t70 -63.65 132.43 51.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 179.881 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 10.8 p -121.94 128.14 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.6 p -137.45 161.3 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.3 tt0 -136.69 132.49 34.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.903 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -93.76 -1.94 54.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.4 m -106.49 166.48 10.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.43 -168.35 16.83 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -9.46 26.18 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.8 t -51.42 155.45 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 81.1 p -76.28 -47.01 25.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 p -170.79 176.46 4.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 0.0 110.895 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -110.66 144.82 38.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.33 160.07 32.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -150.51 129.56 12.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.885 0.374 . . . . 0.0 110.9 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.4 m -117.56 108.35 15.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.28 68.53 3.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -118.4 160.55 21.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.84 -110.61 3.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.72 119.11 0.51 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.455 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.509 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -42.65 151.03 0.39 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.651 0.739 . . . . 0.0 111.137 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 174.62 9.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.256 . . . . 0.0 112.338 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.5 p80 -45.53 118.52 1.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.829 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -108.87 142.72 39.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -50.79 -50.5 55.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 mp -58.02 155.76 10.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.4 t -82.47 133.48 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.8 tp -110.94 141.29 44.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . 0.414 HG23 ' N ' ' A' ' 20' ' ' ARG . 35.5 mm -111.96 135.17 52.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.414 ' N ' HG23 ' A' ' 19' ' ' ILE . 63.6 mtm180 -135.01 124.78 25.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.936 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.5 ptp -149.51 169.44 20.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.1 pttt -126.94 150.93 73.17 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.601 0.715 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 135.75 31.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.652 2.235 . . . . 0.0 112.324 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.405 ' CG ' ' HG3' ' A' ' 53' ' ' PRO . 22.7 m-20 -69.58 176.82 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -46.82 -46.6 20.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -67.77 -27.29 66.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.75 41.04 5.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.467 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -135.27 148.08 49.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.535 ' CZ ' HD21 ' A' ' 98' ' ' LEU . 73.1 m-85 -87.9 -175.04 4.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -136.89 59.94 0.63 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -162.74 133.37 4.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.37 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -103.11 157.83 16.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.8 m -131.36 140.21 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -132.63 158.55 41.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.71 -145.4 17.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.09 171.07 23.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -42.45 -35.58 1.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.357 . . . . 0.0 110.913 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -46.29 -43.0 15.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 41' ' ' MET . 13.5 mm-40 -114.92 38.1 3.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 39' ' ' GLN . 11.9 mttp 35.31 31.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 39' ' ' GLN . 19.0 ptm -127.95 152.71 77.78 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.558 0.694 . . . . 0.0 110.898 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 150.05 67.69 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.311 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.3 t -70.15 96.37 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.5 mm -101.92 137.95 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.091 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 71.0 t -50.77 132.62 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.5 t -85.54 -63.32 1.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -146.03 159.42 43.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.8 t -131.97 125.96 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -88.74 146.31 36.79 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.566 0.698 . . . . 0.0 111.133 179.883 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 163.95 36.39 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 50.03 39.77 34.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 33.1 p -113.52 153.73 45.69 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.567 0.699 . . . . 0.0 111.133 -179.847 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . 0.405 ' HG3' ' CG ' ' A' ' 24' ' ' ASP . 54.0 Cg_endo -69.78 2.88 3.14 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.711 2.274 . . . . 0.0 112.345 179.902 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -107.24 -19.07 13.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.088 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -98.34 -52.64 3.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.3 mt -53.62 -34.0 56.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 14.4 p -64.61 166.2 8.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.528 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 4.5 p -134.97 137.57 27.49 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.578 0.704 . . . . 0.0 111.154 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.528 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.3 Cg_endo -69.77 133.16 24.6 Favored 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.342 0.003 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 3.6 ttm105 -52.48 131.56 33.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.873 -179.978 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 30.7 tp -79.29 89.37 4.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.971 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -94.75 150.94 19.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.1 mp0 -46.35 145.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 65' ' ' ASP . . . 109.29 -43.84 1.63 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 64' ' ' GLY . 74.7 m-20 -38.09 122.15 1.01 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.774 0.321 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -89.79 109.26 20.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.4 t -77.9 110.75 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 92.6 t -88.81 -45.46 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.93 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.446 ' CD2' ' HA ' ' A' ' 74' ' ' ASP . 86.8 mt -148.17 149.57 32.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.1 mt -121.09 121.77 65.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 53.5 41.82 32.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.73 34.74 61.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 8.6 mmm180 -129.05 119.84 24.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.329 . . . . 0.0 110.869 -179.854 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.446 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 3.6 m-20 -47.07 119.35 2.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.7 pp -115.37 -32.61 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.996 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -45.92 -46.87 16.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.772 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -62.49 -30.63 71.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.506 ' CG ' ' HG2' ' A' ' 82' ' ' GLN . 6.3 m170 -73.95 164.43 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' HIS . 14.0 p -102.8 152.16 21.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.171 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.419 ' CD2' ' C ' ' A' ' 80' ' ' HIS . 5.2 t60 -37.33 -64.11 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -38.36 -38.74 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.506 ' HG2' ' CG ' ' A' ' 78' ' ' HIS . 26.7 tp60 -80.09 -57.78 3.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.3 t -41.21 -41.75 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.5 t -58.97 -57.83 9.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.969 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 86' ' ' PHE . 4.0 mp -60.68 -50.1 74.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 85' ' ' LEU . 22.1 t80 -37.89 -46.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 35.4 mt -68.0 -52.05 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 45.2 mtmt -51.93 -40.36 60.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.837 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 90' ' ' SER . . . -41.64 -42.93 2.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 89' ' ' ALA . 4.6 t -37.71 -38.48 0.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.816 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 92' ' ' GLU . 39.4 t -43.75 -46.99 7.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.456 ' HG3' ' N ' ' A' ' 93' ' ' ARG . 14.7 pt-20 -34.61 -36.65 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.456 ' N ' ' HG3' ' A' ' 92' ' ' GLU . 7.4 ptm180 -120.75 138.26 54.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -100.28 -52.32 3.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.802 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.2 m -59.19 89.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 158.97 -179.41 34.62 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -130.46 172.41 11.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.535 HD21 ' CZ ' ' A' ' 29' ' ' PHE . 8.3 tp -114.94 131.34 56.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 9.7 mtt -119.22 134.11 55.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 6.6 mt -132.76 131.56 41.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.98 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.1 tp -98.77 104.35 16.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 17.3 m -108.52 158.12 8.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -95.03 134.21 25.09 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.617 0.722 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 131.24 20.85 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.722 2.282 . . . . 0.0 112.343 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -109.71 84.13 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.83 107.24 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.6 p -174.95 148.25 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -137.9 116.1 11.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -157.94 147.24 19.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 93.9 t -111.85 135.71 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.5 p -152.82 154.0 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.2 tp10 -111.15 119.94 40.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -134.71 96.15 3.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 88.7 p -81.93 154.95 25.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.24 85.56 0.18 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.83 3.16 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.4 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 71.4 m -85.07 110.64 19.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.2 t -106.41 -61.31 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -130.07 170.37 14.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.873 0.368 . . . . 0.0 110.848 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -45.81 -46.83 15.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.93 163.02 10.99 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.486 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -141.86 153.69 44.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.876 0.369 . . . . 0.0 110.847 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.2 p -141.85 146.65 36.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.27 -89.17 1.87 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -127.14 -50.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.27 -71.67 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.0 131.39 2.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 33.6 mt -51.96 130.56 39.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 0.0 111.134 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 133.48 25.63 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -83.88 157.71 21.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -106.74 144.68 33.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -119.92 84.78 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.4 mt -106.03 158.16 17.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.3 t -85.25 139.87 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.2 tp -121.57 129.02 52.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 25.7 mm -92.82 119.87 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -117.87 132.37 56.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.37 159.14 16.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -112.96 144.47 31.14 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.701 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 125.01 11.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.738 2.292 . . . . 0.0 112.331 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' GLU . 1.2 p30 -58.02 179.53 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' ASP . 33.9 mp0 -34.53 -61.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -76.68 -27.34 55.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.34 42.27 8.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -105.38 84.82 2.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.488 ' CZ ' HD23 ' A' ' 98' ' ' LEU . 13.7 m-85 -53.33 125.06 16.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.404 ' HA3' ' CG2' ' A' ' 52' ' ' THR . . . -82.5 71.0 3.06 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.472 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.496 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 1.8 p90 -160.77 125.53 3.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -108.67 150.2 27.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.9 m -121.49 161.54 21.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -148.0 150.83 34.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.46 -156.13 18.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.75 160.26 10.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -44.79 -32.24 1.48 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.873 0.368 . . . . 0.0 110.927 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -57.35 -43.33 83.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' MET . 51.5 mm-40 -101.56 29.22 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' GLN . 0.2 OUTLIER 37.72 31.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 39' ' ' GLN . 9.5 ptm -132.15 153.54 81.35 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.574 0.702 . . . . 0.0 110.879 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.421 ' HG2' ' CD1' ' A' ' 44' ' ' ILE . 53.1 Cg_endo -69.8 152.29 69.04 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.669 2.246 . . . . 0.0 112.283 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.0 t -85.55 103.59 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.421 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 4.2 mp -118.23 139.65 44.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.5 t -50.33 111.66 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 t -61.46 -63.25 1.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -146.1 167.51 23.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 42.7 t -140.79 131.0 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.52 145.77 34.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.568 0.699 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 160.91 47.97 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.262 . . . . 0.0 112.332 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.73 34.31 70.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.404 ' CG2' ' HA3' ' A' ' 30' ' ' GLY . 75.4 p -111.61 151.82 43.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.548 0.69 . . . . 0.0 111.151 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 1.66 4.21 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.317 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.34 -19.85 13.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.059 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -99.09 -45.03 6.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mt -59.31 -30.65 68.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.3 p -71.18 136.32 48.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.535 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 4.2 p -97.21 137.66 21.21 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.628 0.728 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.535 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.7 138.22 47.78 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.371 -0.083 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -55.34 115.47 2.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.3 tp -64.64 100.42 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.415 ' O ' ' CG ' ' A' ' 65' ' ' ASP . 38.4 p30 -111.16 148.77 32.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -40.07 142.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.68 -43.35 1.71 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.473 ' N ' ' OD1' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -47.39 100.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.714 0.292 . . . . 0.0 110.851 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -76.04 140.55 41.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.8 t -92.67 134.29 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.7 t -110.63 -39.78 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.411 ' CD2' ' HA ' ' A' ' 74' ' ' ASP . 95.3 mt -152.59 148.04 26.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 70.8 mt -113.85 117.1 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 52.58 34.09 14.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.05 42.63 58.71 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.8 ttt-85 -136.98 139.33 41.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.411 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 8.0 t70 -74.22 102.18 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.407 ' O ' ' CD1' ' A' ' 75' ' ' ILE . 2.2 pp -105.6 15.48 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.99 -40.64 31.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -66.93 -31.25 71.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -71.61 164.16 26.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 67.5 p -102.93 159.66 15.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.426 ' CD2' HG21 ' A' ' 84' ' ' VAL . 79.6 t60 -44.05 -58.98 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 -40.03 -35.01 0.33 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.978 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -84.94 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.3 t -38.81 -39.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.426 HG21 ' CD2' ' A' ' 80' ' ' HIS . 96.0 t -61.37 -49.42 84.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.9 mp -64.94 -48.01 75.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 2.5 t80 -40.06 -64.68 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 23.4 mt -53.31 -47.17 57.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -55.21 -38.07 67.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -49.36 -22.97 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 t -58.23 -38.73 77.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.4 p -46.19 -31.38 2.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -121.19 83.92 2.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -140.32 163.94 31.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -71.47 -56.93 4.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 m -172.06 134.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 172.88 -171.6 44.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.455 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -135.62 138.47 42.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.944 0.402 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.488 HD23 ' CZ ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -75.26 108.13 7.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.7 mtt -116.26 141.31 48.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.3 mt -138.91 132.89 31.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.0 tp -95.72 100.23 11.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.2 m -103.42 153.08 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -101.7 133.41 20.8 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.543 0.687 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 122.48 9.17 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -100.58 81.55 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -162.12 141.64 9.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.6 m -68.39 -179.05 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.508 ' CD1' ' O ' ' A' ' 108' ' ' TYR . 13.4 p90 -138.43 125.53 21.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -170.16 160.18 7.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.451 HG23 ' N ' ' A' ' 111' ' ' VAL . 11.4 p -94.97 146.14 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 -179.988 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.451 ' N ' HG23 ' A' ' 110' ' ' VAL . 14.3 p -58.45 137.73 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.129 179.911 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -129.07 136.74 50.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -167.12 106.31 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.2 t -67.02 162.36 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 148.19 147.65 4.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.445 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.58 33.99 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.313 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.4 m -76.43 136.73 39.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 t -90.52 -61.42 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 p -165.69 141.13 4.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.85 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -99.59 93.83 6.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.05 146.3 14.39 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.525 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.5 p -132.19 42.68 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.888 0.375 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t 70.21 41.66 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.37 157.09 33.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.532 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -117.89 117.13 28.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.29 -175.72 3.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.92 76.48 0.13 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.47 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.0 pt -56.36 140.96 71.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.602 0.715 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 91.29 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.351 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -40.21 108.21 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -47.8 139.69 7.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -97.09 -45.83 6.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.454 ' N ' HD23 ' A' ' 16' ' ' LEU . 2.3 mm? -58.46 150.24 23.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.982 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 70.9 t -85.2 117.36 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.854 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 tp -97.52 121.17 39.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.9 mm -88.57 138.04 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.462 ' CZ ' ' HB2' ' A' ' 20' ' ' ARG . 24.1 mtm105 -137.5 122.92 19.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.11 172.93 16.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -122.94 152.71 63.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.523 0.677 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 124.02 10.68 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -47.97 170.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -50.53 -42.25 54.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -84.47 20.31 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 44.04 57.44 4.81 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -147.51 128.53 14.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.819 0.342 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 97.6 m-85 -81.55 -176.98 6.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -142.41 74.55 0.34 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -162.8 127.79 3.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.379 . . . . 0.0 110.929 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 46' ' ' SER . 7.9 m120 -96.63 133.91 40.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.4 m -115.91 163.96 12.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -143.48 149.77 38.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.42 178.14 31.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.532 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 152.22 166.44 14.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -45.72 -33.56 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.948 0.404 . . . . 0.0 110.963 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.48 -45.11 73.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.841 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 40' ' ' LYS . 10.3 mm-40 -104.43 27.98 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' GLN . 0.6 OUTLIER 35.37 43.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.0 ptm -134.98 152.72 77.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.543 0.687 . . . . 0.0 110.886 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.437 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 53.6 Cg_endo -69.75 152.3 69.33 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.229 . . . . 0.0 112.311 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 25.1 t -85.23 112.12 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.14 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.437 ' CD1' ' O ' ' A' ' 42' ' ' PRO . 3.9 mp -122.04 136.74 57.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.503 ' CG2' ' OD1' ' A' ' 65' ' ' ASP . 18.6 t -57.9 110.78 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 32' ' ' ASN . 5.9 t -63.86 -69.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -130.15 158.5 39.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.72 118.1 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.15 145.94 53.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.589 0.709 . . . . 0.0 111.076 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 161.03 47.51 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.269 . . . . 0.0 112.346 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.04 38.73 96.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.508 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.4 p -122.06 152.4 59.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.59 0.709 . . . . 0.0 111.13 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.95 3.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -100.67 -18.42 16.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.45 ' OD1' ' CG ' ' A' ' 60' ' ' ARG . 3.9 t70 -101.08 -63.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.5 mt -45.38 -32.73 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.9 p -60.78 162.23 7.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.423 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 85.2 t -124.86 124.39 25.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.655 0.74 . . . . 0.0 111.103 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.423 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.5 Cg_endo -69.79 168.01 69.11 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.357 -0.05 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.45 ' CG ' ' OD1' ' A' ' 55' ' ' ASP . 20.0 ttp180 -86.73 120.43 28.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.0 tp -64.19 112.62 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -117.51 167.61 11.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.918 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -61.15 133.28 55.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.49 -32.12 4.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.503 ' OD1' ' CG2' ' A' ' 45' ' ' VAL . 2.6 p30 -50.72 129.8 23.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.767 0.318 . . . . 0.0 110.832 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -107.64 104.39 13.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.2 t -68.58 128.71 32.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.5 t -112.68 -45.91 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.7 mt -139.64 131.12 27.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 92.1 mt -103.1 106.36 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.855 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 58.71 32.67 22.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 76.28 44.02 18.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -138.31 134.26 34.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.853 0.358 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -72.1 92.07 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.3 pp -93.72 4.68 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 -179.978 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.75 -45.98 63.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -63.83 -30.99 72.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -70.94 143.29 50.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.817 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 43.1 p -75.97 170.77 15.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.885 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -51.87 -54.56 27.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -52.8 -46.87 67.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 83' ' ' VAL . 11.5 mm100 -59.85 -61.84 2.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 82' ' ' GLN . 69.9 t -36.65 -65.66 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' VAL . 95.8 t -36.19 -56.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.26 -47.42 84.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -42.13 -47.46 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 21.2 mt -56.81 -51.6 65.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -45.71 -42.76 12.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -42.64 -55.63 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 m -45.2 -47.68 12.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 41.8 t -53.31 -52.64 58.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -38.64 -60.65 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -52.93 -55.18 25.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 59.43 41.28 19.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.7 m -93.22 -48.14 6.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -128.98 -155.23 8.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.54 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -98.59 174.35 6.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 0.0 110.91 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 2.5 tp -93.63 146.62 23.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -180.0 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 6.3 mtt -136.6 107.91 6.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.5 mt -112.96 113.81 26.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.959 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 23.9 tp -83.12 101.64 11.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 33.2 m -106.77 157.28 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 57.1 ttt-85 -99.71 129.58 28.47 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.61 0.719 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 131.26 20.86 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.393 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . 0.425 ' O ' ' C ' ' A' ' 106' ' ' ALA . 60.6 t30 -114.7 85.86 2.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 105' ' ' ASN . . . -35.69 121.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 94.9 t -126.3 111.73 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -107.89 149.55 28.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -165.3 177.41 7.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 92.0 t -129.55 143.89 39.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.416 HG12 ' N ' ' A' ' 112' ' ' GLU . 74.9 t -101.38 137.45 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.891 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . 0.416 ' N ' HG12 ' A' ' 111' ' ' VAL . 24.8 mt-10 -114.56 107.62 15.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.998 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -174.6 113.14 0.16 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.6 m -104.54 113.76 27.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -130.75 169.7 21.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.477 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 139.89 41.3 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.3 t -77.98 -52.14 9.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.7 m -84.63 138.47 32.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t 68.2 42.43 1.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.849 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.8 m -89.53 82.18 6.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.7 161.72 28.58 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 p -119.76 140.41 50.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.85 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.1 p -145.25 153.32 41.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.53 164.89 38.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -146.48 163.83 34.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.367 . . . . 0.0 110.889 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 176.81 173.25 42.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.87 55.27 0.19 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.7 mm -91.56 129.88 41.21 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.597 0.713 . . . . 0.0 111.153 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 149.51 66.54 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.679 2.252 . . . . 0.0 112.323 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -47.71 98.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 6.8 m-20 -158.17 174.74 14.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -122.26 44.86 2.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.462 HD22 ' N ' ' A' ' 16' ' ' LEU . 4.2 mm? -80.99 153.17 27.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.5 t -99.34 145.69 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 4.5 tp -125.99 131.58 52.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.3 mm -99.15 109.89 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -102.79 122.54 44.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -155.64 175.77 13.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -130.6 151.38 78.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.589 0.709 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 161.78 44.61 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -87.2 -177.61 6.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -62.75 -8.13 6.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -120.05 23.4 11.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.66 49.01 22.55 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -130.34 155.6 46.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.379 . . . . 0.0 110.828 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.549 ' CE2' HD23 ' A' ' 98' ' ' LEU . 96.6 m-85 -114.74 179.17 4.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -123.38 58.63 0.62 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -166.31 133.3 2.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -104.28 167.7 9.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.9 m -141.51 157.06 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -147.06 158.29 43.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.99 -151.89 19.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.61 169.58 15.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -43.76 -27.66 0.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -54.52 -44.39 72.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 41' ' ' MET . 40.1 mm-40 -114.39 28.33 8.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' GLN . 31.8 mttt 37.86 31.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 39' ' ' GLN . 15.4 ptm -117.8 152.17 49.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.576 0.703 . . . . 0.0 110.89 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 147.64 63.61 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.694 2.263 . . . . 0.0 112.354 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 58.2 t -72.34 101.53 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.926 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.8 mm -110.26 138.05 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.1 t -50.23 134.31 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.7 t -88.87 -60.49 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.445 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 15.2 tpp180 -146.18 152.61 39.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.445 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 25.0 t -138.36 125.19 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.169 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.87 152.57 39.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.576 0.703 . . . . 0.0 111.156 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.74 173.38 11.04 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.303 -179.939 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 45.91 42.31 11.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.443 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 16.6 p -117.48 154.95 50.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.539 0.685 . . . . 0.0 111.147 -179.859 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -0.62 7.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.626 2.217 . . . . 0.0 112.371 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -107.32 -27.12 10.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -91.19 -53.0 4.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 mt -52.36 -38.26 58.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 16.4 p -62.08 158.6 16.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.522 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 94.9 t -120.31 135.33 24.41 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.586 0.707 . . . . 0.0 111.183 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.522 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.4 Cg_endo -69.79 143.52 74.15 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.308 0.001 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -59.07 121.85 12.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 29.0 tp -72.18 104.77 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -115.04 166.59 11.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -56.43 148.62 18.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.24 -41.54 2.12 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.445 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -42.75 117.24 1.0 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.75 0.31 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -91.79 108.2 19.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.3 105.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.089 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.3 t -76.74 -46.6 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.451 ' CD2' ' HA ' ' A' ' 74' ' ' ASP . 78.2 mt -153.48 139.29 18.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 50.0 mt -107.79 123.51 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.149 179.844 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 53.56 33.1 15.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.58 33.56 87.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.475 ' HD3' ' CE1' ' A' ' 86' ' ' PHE . 47.3 mtp180 -130.55 132.92 45.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.917 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.451 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 9.6 p-10 -57.4 115.12 2.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.405 ' C ' HD13 ' A' ' 75' ' ' ILE . 2.5 pp -117.1 -14.86 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.16 -12.09 61.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -102.94 -5.18 23.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -99.39 163.25 12.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.7 p -82.22 159.36 23.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.443 ' CD2' HG23 ' A' ' 84' ' ' VAL . 7.7 t60 -43.76 -60.36 1.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.901 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -47.62 -53.27 15.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -49.84 -44.37 49.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.23 -46.94 91.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.443 HG23 ' CD2' ' A' ' 80' ' ' HIS . 89.9 t -60.43 -43.69 94.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 179.867 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.63 -36.56 78.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.475 ' CE1' ' HD3' ' A' ' 73' ' ' ARG . 86.3 t80 -60.45 -58.28 9.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 71.0 mt -48.7 -36.03 7.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -67.17 -41.3 86.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -38.85 -37.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.5 t -46.11 -51.18 14.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 71.0 m -55.74 -44.79 77.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -65.17 -68.53 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -56.67 174.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.429 ' O ' ' CG ' ' A' ' 94' ' ' HIS . 4.1 t-80 -92.25 86.58 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.9 t -119.05 147.86 43.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -87.39 -51.56 3.27 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -144.83 163.79 33.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.549 HD23 ' CE2' ' A' ' 29' ' ' PHE . 14.0 tp -86.21 132.51 33.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 4.0 mtt -116.71 108.88 16.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.5 mt -115.75 141.27 48.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.9 tp -113.54 101.49 9.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.9 m -106.6 156.29 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -91.07 135.38 28.57 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.639 0.733 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 122.92 9.6 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -120.27 83.7 2.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.47 21.74 2.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.4 p -118.48 124.09 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.18 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -167.21 164.36 15.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -101.77 135.55 43.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . 0.436 HG13 ' N ' ' A' ' 111' ' ' VAL . 87.3 t -75.57 140.58 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . 0.436 ' N ' HG13 ' A' ' 110' ' ' VAL . 14.5 p -102.21 145.35 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -136.1 132.69 36.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -155.47 105.93 2.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 97.0 p -113.88 146.37 40.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -160.08 83.28 0.13 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 134.65 28.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.345 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.8 t -140.93 -176.51 4.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.9 m -163.21 175.12 11.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 m -127.51 172.63 10.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -171.8 163.49 6.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.78 131.71 2.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -126.18 177.51 6.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -140.3 110.25 6.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.823 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.47 49.8 1.46 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.496 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -150.59 145.99 26.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.383 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.94 108.12 0.29 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.451 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.79 108.71 3.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.2 OUTLIER -53.24 150.41 11.44 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.635 0.731 . . . . 0.0 111.118 -179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 177.76 5.28 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.34 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -140.25 110.52 6.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -141.57 145.23 34.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -90.3 -52.98 4.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.477 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -65.32 144.84 56.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.3 t -87.42 140.75 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 tp -114.18 134.28 55.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.1 mm -106.81 113.61 43.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.3 mtm105 -111.48 126.05 54.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.84 173.15 17.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . 0.418 ' C ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -119.83 152.54 53.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.64 0.733 . . . . 0.0 110.881 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 135.07 29.45 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -51.98 175.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -52.25 -46.11 65.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -78.87 -28.17 44.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.09 52.95 0.91 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 mtp-105 -144.52 141.01 29.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.798 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -90.88 -177.14 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.441 ' HA3' ' CG2' ' A' ' 52' ' ' THR . . . -135.25 67.61 0.55 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.515 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -158.39 130.15 6.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -101.02 151.16 22.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.7 m -131.59 154.23 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.196 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.0 pttt -137.48 140.69 41.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 118.7 -172.1 14.39 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.506 179.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.76 166.25 10.62 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.527 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -48.93 -31.58 7.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.875 0.369 . . . . 0.0 110.905 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -62.52 -44.37 96.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' LYS . 13.9 mt-30 -97.59 18.56 15.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' GLN . 4.8 mmmm 36.01 36.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 12.9 ptm -128.33 153.07 78.96 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.592 0.71 . . . . 0.0 110.89 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 156.86 62.3 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.735 2.29 . . . . 0.0 112.382 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.412 ' C ' HD12 ' A' ' 44' ' ' ILE . 22.0 t -89.71 115.74 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 179.956 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.424 HG22 ' N ' ' A' ' 45' ' ' VAL . 5.1 mp -134.07 134.67 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.17 179.872 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.424 ' N ' HG22 ' A' ' 44' ' ' ILE . 98.9 t -51.58 128.42 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.878 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.3 t -88.57 -52.12 5.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -144.61 157.74 44.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.8 t -137.96 113.37 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.959 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.59 148.32 61.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.521 0.677 . . . . 0.0 111.113 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 176.19 7.14 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 55.01 32.44 56.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.441 ' CG2' ' HA3' ' A' ' 30' ' ' GLY . 31.6 p -121.22 153.89 58.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.593 0.711 . . . . 0.0 111.16 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -0.81 7.49 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.267 . . . . 0.0 112.314 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -96.12 -22.08 17.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.404 ' CG ' ' HG3' ' A' ' 60' ' ' ARG . 2.6 t70 -96.75 -64.95 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.4 mt -44.43 -42.01 6.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 13.7 p -53.71 153.85 4.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.468 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 97.8 t -115.94 124.71 29.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.609 0.719 . . . . 0.0 111.099 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.468 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.73 172.27 49.67 Favored 'Cis proline' 0 C--O 1.231 0.141 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.299 -0.076 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.404 ' HG3' ' CG ' ' A' ' 55' ' ' ASP . 19.6 ttp180 -89.08 114.37 25.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.5 tp -60.03 127.37 31.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.2 p30 -141.3 169.22 18.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 12.3 mp0 -56.15 147.2 21.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.969 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 66' ' ' GLN . . . 103.96 -43.76 1.61 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -51.27 91.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.742 0.306 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 64' ' ' GLY . 36.8 tt0 -66.18 129.64 40.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.5 t -85.19 107.84 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 57.0 t -85.65 -40.48 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 63.2 mt -153.96 137.56 16.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.982 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.7 mt -104.73 116.55 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 62.87 29.18 16.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.01 30.23 68.05 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.8 mtt85 -129.69 150.67 50.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -77.46 126.94 31.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.4 pp -129.99 -5.76 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.41 -44.22 72.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -60.67 -28.51 68.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -71.33 152.51 43.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.5 p -93.79 167.25 11.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 11.7 t60 -42.49 -55.24 3.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.892 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -52.22 -52.88 49.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 85' ' ' LEU . 34.2 mt-30 -58.33 -67.88 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.422 ' O ' ' CD1' ' A' ' 87' ' ' ILE . 24.1 t -35.94 -46.86 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 85.6 t -57.32 -45.87 85.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.895 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 82' ' ' GLN . 12.9 mt -69.75 -27.1 64.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -57.04 -57.94 10.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.422 ' CD1' ' O ' ' A' ' 83' ' ' VAL . 5.0 mp -64.39 -49.41 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt -46.54 -44.18 17.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.38 -31.53 22.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.8 t -38.49 -34.18 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 3.5 t -53.96 -53.53 51.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -96.82 66.24 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.437 ' NH1' ' HB3' ' A' ' 93' ' ' ARG . 5.5 mmm180 -140.11 134.68 31.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -39.42 -49.76 2.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.1 m -73.06 174.39 7.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.835 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -129.09 -65.61 0.11 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -62.14 120.11 10.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.859 0.361 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.454 ' C ' ' CD2' ' A' ' 98' ' ' LEU . 1.4 tt -98.47 154.62 17.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 3.8 mtp -129.19 149.1 51.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.804 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 22.6 mt -132.94 120.91 22.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.6 tp -91.75 99.93 12.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.8 m -106.12 171.79 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.468 ' CD ' ' HD2' ' A' ' 104' ' ' PRO . 0.5 OUTLIER -108.25 137.43 19.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.619 0.723 . . . . 0.0 110.866 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.468 ' HD2' ' CD ' ' A' ' 103' ' ' ARG . 53.9 Cg_endo -69.74 142.58 48.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.369 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -87.77 -56.67 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -156.56 158.58 37.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.0 t -89.48 123.46 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -145.86 154.68 42.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -119.97 121.11 38.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.861 179.947 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 96.1 t -114.15 88.0 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.084 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 87.9 t -94.39 98.31 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.122 179.902 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -109.67 152.87 25.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -132.26 88.48 2.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.1 m -130.38 166.41 20.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -168.33 136.29 4.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 172.76 12.03 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.36 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 29.7 m -151.56 144.96 24.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.4 m -130.65 140.95 50.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.457 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -150.51 149.66 30.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.871 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -67.53 146.24 54.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.18 81.63 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -142.41 141.47 32.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 110.82 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.1 p -105.91 118.63 37.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.41 74.89 0.2 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -140.35 136.09 32.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 110.848 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.27 101.06 0.28 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 140.18 134.05 3.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.9 mm -120.26 134.33 24.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.645 0.736 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 134.9 29.05 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.325 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -69.61 104.83 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -80.78 45.95 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -67.37 -43.78 80.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 mt -69.97 151.44 45.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 81.5 t -95.97 128.99 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.447 HD22 ' NE ' ' A' ' 20' ' ' ARG . 17.3 tp -107.13 138.68 42.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 15.9 mm -109.5 116.29 51.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.852 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.447 ' NE ' HD22 ' A' ' 18' ' ' LEU . 40.0 mtt180 -120.25 115.6 23.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.89 171.35 14.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm -122.77 152.91 63.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.71 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 122.51 9.2 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.727 2.285 . . . . 0.0 112.362 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -55.85 -177.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -55.92 -37.25 68.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 27' ' ' GLY . 3.9 m-20 -85.46 27.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 26' ' ' ASN . . . 34.79 51.0 0.79 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.482 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.404 ' HD2' ' C ' ' A' ' 28' ' ' ARG . 0.9 OUTLIER -150.1 144.93 26.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.898 -179.828 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -96.62 164.56 12.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -110.66 68.72 0.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.459 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 9.0 p90 -166.1 121.86 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -101.18 158.73 15.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . 0.429 ' HB ' ' CG1' ' A' ' 43' ' ' VAL . 32.2 m -127.25 168.08 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' NZ ' ' O ' ' A' ' 45' ' ' VAL . 22.4 pttm -145.39 148.76 33.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.04 -152.48 19.0 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.478 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.28 161.82 11.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.513 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -45.63 -26.23 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.916 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -62.21 -40.27 95.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' LYS . 6.8 mt-30 -106.49 28.0 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.463 ' HD2' ' N ' ' A' ' 40' ' ' LYS . 2.1 mptt 36.43 42.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 17.7 ptm -138.08 152.75 72.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.538 0.685 . . . . 0.0 110.885 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 154.32 67.68 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.744 2.296 . . . . 0.0 112.329 -179.978 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . 0.429 ' CG1' ' HB ' ' A' ' 33' ' ' VAL . 21.2 t -84.9 113.32 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.402 HG23 ' N ' ' A' ' 45' ' ' VAL . 5.4 mp -125.95 144.05 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.403 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . 97.5 t -54.53 141.89 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.5 p -103.88 -53.81 2.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -141.66 153.86 44.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.7 t -139.75 106.9 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 179.952 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.45 147.91 76.27 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.608 0.718 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 171.54 14.31 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.34 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 54.94 33.69 57.06 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.8 p -118.98 153.73 52.87 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.572 0.701 . . . . 0.0 111.143 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 2.85 3.14 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -100.4 -19.02 16.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . 0.443 ' OD1' ' CG ' ' A' ' 60' ' ' ARG . 3.6 t70 -102.13 -63.15 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.4 mt -46.36 -31.44 2.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.6 p -58.96 162.15 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.439 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 24.2 t -123.47 121.57 26.79 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.738 . . . . 0.0 111.123 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.439 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.72 174.56 39.95 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.332 -0.057 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . 0.443 ' CG ' ' OD1' ' A' ' 55' ' ' ASP . 20.5 ttp180 -90.39 120.82 31.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.453 HD21 ' CB ' ' A' ' 31' ' ' PHE . 15.6 tp -69.19 127.14 32.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.529 ' CG ' ' N ' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -141.36 169.73 17.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.529 ' N ' ' CG ' ' A' ' 62' ' ' ASN . 27.9 mt-10 -58.56 152.8 17.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.53 -41.48 2.23 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -52.85 114.62 1.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.743 0.306 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -90.04 126.81 35.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.9 t -84.62 122.35 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 40.7 t -90.52 -52.07 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.89 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 9.8 mt -142.15 157.36 44.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.933 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 74.8 mt -127.73 123.58 61.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 179.858 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 59.93 27.1 16.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.89 -15.58 36.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.455 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 52.3 mtt85 -91.99 144.18 25.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -73.82 122.3 22.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.5 pp -104.54 -31.86 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -48.07 -27.93 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.85 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -76.51 -31.39 57.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.417 ' HB3' ' CB ' ' A' ' 82' ' ' GLN . 9.9 m80 -80.28 147.87 30.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.7 p -75.88 161.69 28.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -40.19 -57.3 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -46.01 -48.41 16.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.417 ' CB ' ' HB3' ' A' ' 78' ' ' HIS . 0.6 OUTLIER -65.26 -55.02 20.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.5 t -50.08 -61.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.5 t -44.53 -59.54 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.1 mt -57.5 -35.38 70.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -57.2 -46.31 82.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.1 mt -58.78 -59.16 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 89' ' ' ALA . 54.2 mttm -51.54 -52.79 44.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 88' ' ' LYS . . . -34.62 -53.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.061 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 89' ' ' ALA . 5.2 t -36.51 -51.44 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 23.1 t -49.84 -53.91 22.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -90.11 46.46 1.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.422 ' HG2' ' N ' ' A' ' 94' ' ' HIS . 46.2 ttt-85 -137.26 153.31 50.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.431 ' O ' ' C ' ' A' ' 95' ' ' SER . 3.4 t-160 -46.72 169.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 94' ' ' HIS . 74.2 p -35.54 119.81 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 175.53 88.6 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.13 168.2 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.371 . . . . 0.0 110.927 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.75 111.64 20.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.436 ' HG3' ' CD1' ' A' ' 18' ' ' LEU . 0.3 OUTLIER -111.77 140.61 46.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.866 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.416 ' HG ' ' C ' ' A' ' 99' ' ' MET . 4.8 mt -147.52 115.63 6.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.5 tp -90.49 104.97 17.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.0 m -107.53 149.76 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -91.36 134.9 28.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 141.99 46.76 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.389 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -115.54 84.84 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -96.03 96.32 8.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.3 m -65.32 159.18 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -90.54 50.52 1.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -134.02 154.55 51.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.843 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 89.1 t -81.74 143.64 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 91.3 t -120.46 108.93 24.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -112.1 117.74 33.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -170.45 107.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 92.8 p -106.21 152.99 22.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -164.75 78.9 0.13 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 134.58 28.34 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.689 2.259 . . . . 0.0 112.362 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 117' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 118' ' ' SER . 47.0 p -40.02 106.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.836 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 118' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 117' ' ' SER . 43.2 m -36.19 140.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.516 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -104.6 84.22 2.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 p -94.18 -47.9 6.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.12 114.89 0.63 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.5 p -127.4 138.47 53.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.855 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 m -126.69 153.37 45.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.16 83.54 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -145.57 154.75 42.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.906 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.41 58.49 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 40.98 73.31 0.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.503 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -52.13 145.07 19.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.637 0.732 . . . . 0.0 111.092 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 144.62 54.48 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.378 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -95.71 25.19 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.827 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -61.12 125.36 23.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -84.69 56.02 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.45 ' CD2' ' HG3' ' A' ' 103' ' ' ARG . 15.9 mt -64.67 153.35 39.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.46 ' CG1' HG23 ' A' ' 102' ' ' VAL . 9.6 p -83.29 156.24 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.824 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.0 tp -125.1 123.55 39.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.9 mm -91.79 103.65 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -105.14 119.59 39.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' MET . . . . . 0.437 ' CE ' HD13 ' A' ' 100' ' ' LEU . 6.1 ptp -143.78 176.53 9.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.948 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -129.03 145.68 57.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 155.69 65.47 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.262 . . . . 0.0 112.367 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 28' ' ' ARG . 0.4 OUTLIER -87.42 179.68 6.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -43.94 -61.83 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -66.43 -26.28 67.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.89 1.19 55.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . 0.448 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 9.5 ptm180 -82.87 140.47 32.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -97.85 170.91 8.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -116.38 64.19 0.34 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.455 ' CZ ' HD11 ' A' ' 87' ' ' ILE . 4.1 p90 -166.11 134.69 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.357 . . . . 0.0 110.839 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -111.64 159.19 18.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.68 161.77 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.7 pttt -141.04 141.12 34.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.73 174.01 17.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 162.69 -170.48 38.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 2.7 t80 -73.87 -20.35 60.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.902 0.382 . . . . 0.0 110.923 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . 0.417 ' OD1' ' C ' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -74.3 -33.44 63.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 40' ' ' LYS . 22.9 mm-40 -108.15 16.99 22.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' GLN . 9.1 mptt 35.22 50.36 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.9 ptm -138.86 152.66 70.85 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.552 0.691 . . . . 0.0 110.885 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.478 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 52.8 Cg_endo -69.81 149.77 66.99 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.65 2.234 . . . . 0.0 112.286 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 40.8 t -84.33 116.71 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.931 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.478 ' CD1' ' O ' ' A' ' 42' ' ' PRO . 4.0 mp -128.5 146.81 33.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 77.2 t -59.52 129.17 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.835 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 t -90.98 -60.94 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -140.41 152.26 45.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 20.9 t -138.68 113.86 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.973 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.67 150.06 72.23 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 111.097 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 174.59 9.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.712 2.275 . . . . 0.0 112.364 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 49.26 46.14 35.02 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.486 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 18.7 p -130.77 154.59 81.88 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.565 0.698 . . . . 0.0 111.168 -179.871 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.51 3.44 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.722 2.281 . . . . 0.0 112.36 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -109.99 -8.25 14.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -112.28 -22.95 10.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.4 mt -89.31 -35.89 15.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.8 p -55.08 152.34 7.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.981 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.428 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 42.5 t -127.06 122.64 23.23 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.592 0.711 . . . . 0.0 111.169 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.428 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.74 148.07 85.93 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.363 -0.096 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.2 ptt-85 -83.38 169.04 16.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.9 tp -103.15 129.08 49.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.926 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.45 156.2 48.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.28 125.48 16.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 121.34 -42.76 1.63 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 95.2 m-20 -51.49 99.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.714 0.292 . . . . 0.0 110.9 -179.989 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -73.1 125.66 28.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.1 t -78.86 111.24 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 93.7 t -89.1 -37.43 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.906 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.413 ' CD2' ' HB3' ' A' ' 74' ' ' ASP . 88.9 mt -149.4 137.77 20.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 15.7 mt -109.42 95.56 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 0.8 OUTLIER 73.18 40.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.03 -37.17 2.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -80.19 141.19 35.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . 0.413 ' HB3' ' CD2' ' A' ' 69' ' ' LEU . 0.5 OUTLIER -85.93 141.61 29.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.8 pp -123.94 11.02 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.17 -12.94 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.064 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.3 mp0 -99.25 -23.34 15.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -71.5 146.81 48.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 80' ' ' HIS . 13.3 p -84.37 150.36 25.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' THR . 22.1 t60 -35.07 -63.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 0.3 OUTLIER -42.48 -64.18 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -49.18 -62.07 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.5 t -39.48 -50.46 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 79.5 t -50.45 -50.31 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.922 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.41 -32.56 71.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -51.42 -39.33 57.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . 0.455 HD11 ' CZ ' ' A' ' 31' ' ' PHE . 14.3 mt -69.66 -46.0 76.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.45 -33.14 69.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.479 ' O ' ' N ' ' A' ' 91' ' ' CYS . . . -55.16 -30.21 59.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 9.6 p -38.19 -28.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.77 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 89' ' ' ALA . 7.4 p -44.32 -43.98 7.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -132.7 58.86 1.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.453 ' CZ ' ' HB3' ' A' ' 89' ' ' ALA . 68.8 mmt-85 -123.48 179.56 4.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -71.82 173.96 7.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 97' ' ' GLU . 28.3 p 43.56 26.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.823 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 95' ' ' SER . . . 34.62 -93.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 95' ' ' SER . 16.9 pt-20 -47.37 174.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.893 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 1.2 tt -119.59 146.09 45.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.94 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.8 mtt -129.18 121.9 28.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 179.837 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.437 HD13 ' CE ' ' A' ' 21' ' ' MET . 13.5 mt -108.18 116.35 31.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 179.984 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.5 tp -85.33 103.11 13.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.46 HG23 ' CG1' ' A' ' 17' ' ' VAL . 18.8 m -112.07 171.92 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.45 ' HG3' ' CD2' ' A' ' 16' ' ' LEU . 13.3 ttm180 -111.85 124.67 31.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.581 0.705 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 152.66 69.21 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.258 . . . . 0.0 112.307 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -115.85 88.58 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 64.6 25.73 13.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.6 t -112.0 58.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -99.78 101.24 12.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -151.13 153.64 35.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.897 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.6 p -49.03 135.11 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.125 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 p -119.26 146.89 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -129.23 115.24 17.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -124.52 -57.7 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.9 p -114.2 175.93 5.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.58 151.68 19.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -44.0 2.35 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.7 t -56.32 133.89 53.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.0 t -115.82 147.6 40.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 p -166.6 136.16 3.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 110.896 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.3 p -137.18 120.27 16.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.77 -85.91 1.83 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.513 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.7 m 43.32 42.5 3.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.929 0.395 . . . . 0.0 110.885 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -134.31 161.95 33.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.828 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.74 173.86 16.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -145.11 125.1 13.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.73 101.16 0.97 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.46 91.21 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.0 mm -47.29 130.36 9.87 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.636 0.731 . . . . 0.0 111.136 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 146.02 58.83 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.717 2.278 . . . . 0.0 112.335 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -96.36 90.74 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -157.34 172.62 18.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -126.36 52.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.471 HD22 ' N ' ' A' ' 16' ' ' LEU . 2.8 mm? -72.62 157.67 37.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.998 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 87.2 t -98.85 121.67 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.6 tp -101.59 129.54 47.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.5 mm -100.29 123.63 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.858 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.457 ' CZ ' ' HB3' ' A' ' 20' ' ' ARG . 13.5 mtp-105 -126.15 131.06 52.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.39 176.27 12.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -122.16 151.72 59.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.561 0.695 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 147.09 61.88 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -72.18 -177.59 2.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -58.01 -35.66 71.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -93.95 24.85 3.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 45.3 56.64 6.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -149.67 149.93 31.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.84 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -104.28 -176.02 2.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.454 ' HA3' ' CG2' ' A' ' 52' ' ' THR . . . -129.31 65.29 0.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 6.7 p90 -158.03 127.86 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -104.83 140.89 37.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.2 155.69 17.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.7 pttt -143.67 143.71 31.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . 0.421 ' HA2' ' CG ' ' A' ' 41' ' ' MET . . . 105.98 158.94 22.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.473 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.93 -174.52 40.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.487 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -60.16 -31.81 70.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.883 0.373 . . . . 0.0 110.943 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -55.75 -41.93 74.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' LYS . 11.3 mm-40 -109.92 27.34 9.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' GLN . 3.5 mtpm? 37.47 36.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.421 ' CG ' ' HA2' ' A' ' 35' ' ' GLY . 9.0 ptm -128.65 154.17 79.66 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.58 0.705 . . . . 0.0 110.899 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 157.2 61.05 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.364 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 42.9 t -91.19 116.18 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.95 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.426 HG21 ' N ' ' A' ' 45' ' ' VAL . 5.3 mp -133.79 136.34 54.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 179.915 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.469 ' CG1' ' HA ' ' A' ' 63' ' ' GLU . 73.2 t -51.48 114.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 p -68.68 -62.39 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . 0.465 ' HD2' ' N ' ' A' ' 48' ' ' VAL . 3.5 tmm_? -146.09 148.4 32.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.465 ' N ' ' HD2' ' A' ' 47' ' ' ARG . 74.2 t -123.62 119.98 58.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.78 143.55 71.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.528 0.68 . . . . 0.0 111.135 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 173.42 11.03 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 51.65 45.86 54.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.454 ' CG2' ' HA3' ' A' ' 30' ' ' GLY . 10.4 p -131.66 155.69 81.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.577 0.703 . . . . 0.0 111.127 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -6.58 18.98 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.654 2.236 . . . . 0.0 112.33 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.66 -19.47 21.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -99.62 -63.03 1.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mt -46.73 -20.53 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.9 p -68.37 167.89 13.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.487 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 1.4 p -132.72 128.9 21.07 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.64 0.733 . . . . 0.0 111.113 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.487 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 54.3 Cg_endo -69.71 135.47 33.9 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.705 -1.789 . . . . 0.0 112.338 -0.066 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -55.87 118.11 4.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 7.9 tp -67.04 108.98 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 63' ' ' GLU . 8.1 p30 -111.0 127.4 55.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . 0.469 ' HA ' ' CG1' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -34.14 149.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.84 -12.45 57.75 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . 0.433 ' OD2' ' CG2' ' A' ' 45' ' ' VAL . 3.0 p-10 -77.21 126.83 31.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.783 0.325 . . . . 0.0 110.813 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -88.3 124.65 34.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.7 t -84.48 104.89 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 50.7 t -72.13 -47.88 52.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.161 179.919 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 19.0 mt -149.02 143.75 26.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.44 HG22 ' ND2' ' A' ' 71' ' ' ASN . 63.2 mt -98.06 104.51 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . 0.44 ' ND2' HG22 ' A' ' 70' ' ' ILE . 20.7 p30 47.14 38.94 7.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.5 44.95 10.16 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.453 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.6 mmp_? -137.39 121.91 18.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -67.15 113.31 5.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.9 pp -131.24 13.23 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.966 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.01 75.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -93.81 27.95 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.54 ' CE1' ' HB3' ' A' ' 82' ' ' GLN . 4.6 t-160 -108.66 148.76 29.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.1 p -63.43 165.0 8.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.152 -179.938 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -70.03 -56.65 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.834 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -42.44 -45.15 4.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.54 ' HB3' ' CE1' ' A' ' 78' ' ' HIS . 9.0 mm-40 -64.14 -65.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.4 ' C ' ' O ' ' A' ' 82' ' ' GLN . 55.4 t -36.55 -58.58 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 87.7 t -47.31 -43.24 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.1 mt -71.84 -35.94 70.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -48.19 -53.13 17.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 38.8 mt -53.88 -54.96 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 179.996 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -46.33 -56.88 5.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 90' ' ' SER . . . -37.35 -51.44 1.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 89' ' ' ALA . 7.6 m -35.39 -46.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 43.8 t -77.99 -47.58 18.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -45.83 -49.35 15.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -71.14 173.24 7.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 95' ' ' SER . 4.0 t-160 -56.21 -54.46 44.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 94' ' ' HIS . 70.0 m -35.49 134.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -125.59 72.04 0.45 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -172.76 145.2 1.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.376 . . . . 0.0 110.902 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -122.08 129.9 52.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 -179.989 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 6.0 mtp -133.23 117.2 17.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.91 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.5 mt -117.72 128.27 54.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.965 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.6 tp -91.39 106.51 18.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 17.9 m -111.36 155.1 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -97.03 136.02 21.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.54 0.686 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 145.46 57.16 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -118.95 81.38 1.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.92 125.0 50.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 61.5 t -149.22 127.69 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.167 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -47.74 126.25 9.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -136.63 145.5 44.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.8 p -124.76 111.86 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 95.7 t -112.1 139.33 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -153.14 124.8 7.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -169.19 113.61 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.2 p -153.22 142.76 21.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 117.88 -158.8 14.48 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 100.57 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.332 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 36.9 m -141.16 121.84 14.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.896 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.8 t -92.38 -54.72 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.538 -179.932 . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -170.85 132.08 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.9 p -164.88 127.36 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.85 164.84 27.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.0 p -156.99 167.6 30.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.841 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 p -130.64 170.74 13.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.62 84.45 0.17 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -146.64 123.28 11.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.864 0.364 . . . . 0.0 110.844 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.92 94.54 0.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 137.03 131.32 2.96 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.462 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 0.1 OUTLIER -40.6 146.59 0.44 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.613 0.721 . . . . 0.0 111.179 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -21.45 33.12 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -80.85 87.78 5.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -118.99 175.68 5.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -96.86 -41.46 8.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.9 mm? -74.4 153.12 39.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 85.1 t -102.29 148.32 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.832 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 tp -127.95 137.03 52.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 6.8 mm -102.48 115.52 44.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -114.87 131.39 56.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.13 149.98 9.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -87.82 155.34 53.07 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.551 0.691 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 157.89 58.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.65 2.234 . . . . 0.0 112.32 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -79.31 173.17 12.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -46.37 -46.45 18.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -82.25 -16.38 49.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.79 37.7 4.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.45 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -128.21 172.43 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 50.1 m-85 -120.08 176.74 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -117.01 64.69 0.35 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 31' ' ' PHE . 8.8 p90 -165.31 135.08 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -106.5 162.53 13.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.2 m -136.42 162.59 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -148.61 159.06 44.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.86 -168.59 24.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.502 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.45 164.28 9.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.51 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -47.29 -27.7 1.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.905 0.383 . . . . 0.0 110.918 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.33 -41.01 94.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -99.85 19.31 16.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp 42.93 30.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 10.9 ptm -127.24 151.5 74.66 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.562 0.696 . . . . 0.0 110.899 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.74 162.28 42.65 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 50.5 t -90.73 120.03 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.962 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.2 mp -137.98 142.13 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.102 179.952 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.423 HG12 ' CG2' ' A' ' 48' ' ' VAL . 63.6 t -54.65 132.28 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.7 p -94.13 -59.42 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.5 tpt85 -135.84 148.07 48.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . 0.423 ' CG2' HG12 ' A' ' 45' ' ' VAL . 58.4 t -138.2 110.41 6.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.3 148.08 66.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.597 0.713 . . . . 0.0 111.089 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 -177.43 1.86 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.238 . . . . 0.0 112.385 179.975 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 44.17 46.7 8.19 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 13.1 p -132.17 154.82 81.78 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.564 0.697 . . . . 0.0 111.153 -179.848 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 2.2 3.79 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.706 2.271 . . . . 0.0 112.33 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -108.05 -24.96 11.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.075 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -93.41 -34.32 13.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.1 mt -81.67 -15.72 53.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.6 p -74.29 160.22 31.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.525 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 92.8 t -124.72 137.58 29.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.662 0.744 . . . . 0.0 111.113 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.525 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.1 Cg_endo -69.81 141.66 66.89 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.292 0.008 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -49.01 129.03 17.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.3 tp -89.08 100.55 13.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -108.15 163.35 13.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -54.04 145.49 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.21 -27.72 18.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 -179.935 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -56.95 89.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.348 . . . . 0.0 110.835 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -70.64 116.91 11.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.7 t -71.75 113.2 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . 0.456 ' CG2' ' HB2' ' A' ' 103' ' ' ARG . 61.1 t -83.74 -55.56 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 65.7 mt -139.45 143.08 37.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.924 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 51.4 mt -111.68 123.97 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.86 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 51.73 36.71 18.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.05 37.57 95.16 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.44 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -135.43 156.89 48.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.815 0.34 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -72.64 127.43 32.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.835 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.418 ' CD1' ' N ' ' A' ' 76' ' ' ALA . 2.8 pp -121.4 -39.0 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.418 ' N ' ' CD1' ' A' ' 75' ' ' ILE . . . -51.81 -37.22 50.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -73.07 -19.87 61.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -89.25 166.07 14.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.799 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 27.1 p -84.63 173.59 10.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 31.1 t60 -56.23 -49.89 72.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.66 -62.16 1.8 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.546 ' OE1' ' CE2' ' A' ' 86' ' ' PHE . 0.6 OUTLIER -42.24 -51.53 4.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.9 t -54.53 -46.64 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 95.0 t -55.01 -26.26 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.125 179.927 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.9 mp -82.22 -44.19 16.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.546 ' CE2' ' OE1' ' A' ' 82' ' ' GLN . 2.9 m-85 -45.08 -29.9 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 10.2 mt -80.88 -54.23 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 179.951 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -54.27 -44.74 72.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 90' ' ' SER . . . -40.28 -40.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 89' ' ' ALA . 89.9 p -37.37 -54.47 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 61.6 m -39.22 -50.35 1.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -99.16 73.26 1.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -130.75 148.73 52.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -52.96 -48.16 67.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.5 m -87.69 -51.27 5.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 91.63 91.41 1.39 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.518 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -173.51 177.8 2.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.401 HD12 ' C ' ' A' ' 98' ' ' LEU . 0.5 OUTLIER -129.54 132.15 46.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 8.5 mtt -134.38 126.31 29.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.807 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.8 mt -131.69 119.29 21.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.983 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.8 tp -91.67 101.5 14.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 33.8 m -101.46 158.95 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.456 ' HB2' ' CG2' ' A' ' 68' ' ' VAL . 17.8 ttp180 -107.43 107.38 60.31 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.608 0.718 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 148.11 64.04 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.677 2.252 . . . . 0.0 112.296 -179.943 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 35.2 p-10 -114.96 86.56 2.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.56 103.22 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 99.9 t -123.54 131.26 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -42.7 117.69 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.968 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -111.78 127.59 55.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.0 p -112.69 126.76 70.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.0 p -77.55 132.17 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -149.99 145.5 26.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -101.19 44.55 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.1 p -55.04 129.56 38.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -161.47 77.92 0.17 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 176.55 6.6 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.391 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 63.8 p -164.95 163.58 20.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.6 m -134.51 174.39 10.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 t -87.7 82.89 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.852 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.0 p -100.98 121.67 42.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.63 77.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 m -164.74 145.52 7.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -66.64 170.94 5.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.4 62.37 0.61 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.455 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -52.97 98.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.931 0.396 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.54 121.36 25.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.12 -126.07 25.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.491 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . 0.426 ' CD1' ' N ' ' A' ' 11' ' ' ILE . 2.3 mp -117.34 119.98 33.94 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.646 0.736 . . . . 0.0 111.112 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 179.62 3.61 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.258 . . . . 0.0 112.3 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.2 OUTLIER -98.3 41.5 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -42.43 135.06 2.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -120.73 -60.9 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mp -89.02 160.02 17.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.46 ' CG1' HG22 ' A' ' 102' ' ' VAL . 3.0 p -81.61 149.62 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 tp -125.72 136.84 53.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.8 mm -101.37 144.03 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 179.823 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -144.86 132.28 20.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -162.28 175.11 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -125.55 152.44 71.83 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 144.82 55.09 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.638 2.225 . . . . 0.0 112.317 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -70.46 -176.55 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -68.03 -11.49 59.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -116.78 10.38 14.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.23 58.3 13.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.518 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -145.81 123.43 11.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.413 ' CZ ' HD22 ' A' ' 98' ' ' LEU . 63.1 m-85 -84.1 178.43 7.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.933 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.422 ' HA3' ' CG2' ' A' ' 52' ' ' THR . . . -131.31 71.08 0.51 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.456 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 14.9 p90 -166.24 128.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.928 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -100.2 156.81 17.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.4 m -131.06 152.91 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -133.67 149.12 51.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.47 177.68 45.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.496 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.77 -154.39 20.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.514 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.479 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 2.8 t80 -81.56 -45.82 15.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.915 0.388 . . . . 0.0 110.938 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.95 -25.46 66.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -95.34 0.41 53.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm 50.18 43.95 26.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.6 ptm -142.55 153.26 61.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.542 0.687 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.438 ' O ' ' CD1' ' A' ' 44' ' ' ILE . 53.9 Cg_endo -69.8 155.31 66.13 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.626 2.218 . . . . 0.0 112.353 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 23.3 t -86.04 117.49 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.091 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.458 HG21 ' N ' ' A' ' 45' ' ' VAL . 4.0 mp -130.49 140.5 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . 0.458 ' N ' HG21 ' A' ' 44' ' ' ILE . 98.8 t -55.76 130.44 18.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 179.859 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.4 t -88.9 -58.81 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.3 tpt85 -144.8 151.38 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 41.6 t -133.5 115.44 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 179.959 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.85 146.89 53.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.545 0.688 . . . . 0.0 111.115 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 164.05 35.98 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.727 2.285 . . . . 0.0 112.358 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.99 40.73 95.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.422 ' CG2' ' HA3' ' A' ' 30' ' ' GLY . 16.5 p -131.5 154.78 81.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.579 0.704 . . . . 0.0 111.111 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -0.86 7.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.79 -5.93 19.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -107.68 -53.65 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.9 mt -67.65 -22.64 65.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.8 p -60.45 170.69 1.28 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.51 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 57.4 t -140.73 133.94 14.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.594 0.711 . . . . 0.0 111.145 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.51 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 54.1 Cg_endo -69.74 139.66 55.86 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.623 -1.824 . . . . 0.0 112.365 -0.091 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -53.84 128.81 31.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 24.1 tp -81.38 86.5 6.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -82.03 168.1 18.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -68.07 134.89 51.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.74 -13.33 32.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.12 85.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.764 0.316 . . . . 0.0 110.864 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -59.38 113.42 2.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.6 t -73.93 105.08 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 87.1 t -76.6 -40.24 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 41.1 mt -153.36 134.79 14.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 75.4 mt -99.44 122.1 50.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.874 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 59.11 27.19 16.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 70.46 41.44 66.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -137.74 158.95 43.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -84.24 107.28 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.402 HG23 ' CD2' ' A' ' 86' ' ' PHE . 2.8 pp -117.85 -4.96 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.83 -27.19 64.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.059 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 37' ' ' TYR . 24.3 tt0 -79.14 -28.62 42.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -67.77 149.7 49.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.0 p -78.33 164.12 25.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.142 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -42.29 -55.07 3.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -59.67 -46.88 87.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -55.85 -39.66 71.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 86' ' ' PHE . 23.1 t -66.51 -68.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 83' ' ' VAL . 27.4 t -37.15 -51.12 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.153 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.57 -37.87 89.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 83' ' ' VAL . 46.4 t80 -50.16 -41.52 49.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 40.9 mt -62.99 -58.6 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.71 -42.78 62.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -46.05 -53.62 9.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.086 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.3 t -44.32 -51.39 8.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 92' ' ' GLU . 2.2 t -42.66 -54.17 4.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 91' ' ' CYS . 34.4 tt0 -35.14 -57.9 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -90.6 153.19 20.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -110.53 88.89 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.7 t -90.77 -54.57 3.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -166.25 -93.69 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.532 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 -135.17 166.67 22.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.413 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 0.4 OUTLIER -86.63 107.1 18.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.888 -179.973 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 18.7 mtt -111.07 141.73 44.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 8.7 mt -141.46 116.51 9.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 -179.979 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.8 tp -80.57 99.75 8.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.46 HG22 ' CG1' ' A' ' 17' ' ' VAL . 3.9 m -109.0 172.25 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.46 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 17.1 ttt-85 -102.02 139.32 20.2 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . 0.46 ' HD2' ' CG ' ' A' ' 103' ' ' ARG . 53.7 Cg_endo -69.78 137.55 35.68 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -117.78 74.42 0.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.0 123.54 10.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.072 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.7 p -168.55 140.06 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -146.3 151.84 38.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -158.86 171.26 20.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 87.7 t -62.49 128.42 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.6 t -95.36 91.38 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.07 166.12 32.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -164.42 108.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.4 t -66.11 167.62 9.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -140.3 85.04 0.21 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.527 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -36.18 11.34 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.311 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 36.2 t 49.73 52.41 14.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 71.7 m 58.05 49.51 11.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -159.45 106.63 1.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.913 0.387 . . . . 0.0 110.869 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 p -134.75 168.94 18.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.81 90.21 0.11 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.504 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 p -41.64 117.99 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.938 0.399 . . . . 0.0 110.861 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.5 p -133.39 173.41 11.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.33 -163.07 36.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -111.0 -61.76 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.387 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.75 -60.3 8.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.94 -171.64 53.68 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.464 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.9 pt -48.54 142.5 8.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.721 . . . . 0.0 111.104 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 135.01 29.36 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -149.23 170.05 19.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -127.07 126.76 43.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -47.75 -40.43 20.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . 0.453 HD22 ' N ' ' A' ' 16' ' ' LEU . 3.8 mm? -80.42 154.71 27.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.962 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . 0.468 ' CG1' HG22 ' A' ' 102' ' ' VAL . 1.9 p -97.09 145.84 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . 0.475 HD12 ' CG ' ' A' ' 99' ' ' MET . 6.2 tp -112.63 135.97 52.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 17.3 mm -106.58 130.13 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.826 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . 0.439 ' NH1' ' HB3' ' A' ' 20' ' ' ARG . 5.7 mmm180 -122.8 128.62 50.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.3 ptp -172.3 148.29 2.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -106.76 143.94 28.06 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.561 0.696 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 159.87 51.82 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.733 2.288 . . . . 0.0 112.359 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -72.31 -176.14 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -60.08 -42.82 95.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -93.89 22.25 5.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.28 52.84 44.71 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.55 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -121.76 132.71 54.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . 0.421 ' CZ ' ' CD1' ' A' ' 98' ' ' LEU . 68.6 m-85 -104.26 175.59 5.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -129.97 67.75 0.56 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -159.53 135.26 8.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -98.68 153.44 18.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 m -128.66 171.04 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . 0.408 ' CG ' ' O ' ' A' ' 44' ' ' ILE . 1.5 ptmm? -151.98 122.1 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.81 -165.5 20.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.88 158.55 7.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.459 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -42.43 -31.79 0.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.877 0.37 . . . . 0.0 110.885 -179.779 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -49.96 -43.22 50.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 41' ' ' MET . 17.5 mm100 -110.23 34.05 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 39' ' ' GLN . 30.3 mmtp 35.0 32.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 39' ' ' GLN . 25.8 ptm -122.62 152.62 62.11 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.538 0.685 . . . . 0.0 110.892 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . 0.422 ' C ' HD13 ' A' ' 44' ' ' ILE . 53.7 Cg_endo -69.79 169.94 17.79 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.247 . . . . 0.0 112.342 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 83.9 t -91.56 102.3 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . 0.434 ' CD1' ' N ' ' A' ' 44' ' ' ILE . 2.8 mp -107.97 143.29 18.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.5 t -68.03 131.91 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.6 p -93.73 -56.16 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -141.95 160.13 40.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.9 t -134.81 119.08 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.26 150.41 74.08 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.572 0.701 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.75 169.65 18.4 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 -179.992 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 48.36 42.35 25.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 23.8 p -119.86 153.2 54.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.534 0.683 . . . . 0.0 111.163 -179.866 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 2.13 3.82 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -110.57 -13.94 14.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -100.87 -43.97 5.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 mt -74.68 -24.65 58.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.4 p -66.03 161.27 21.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.508 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 67.2 t -128.42 134.37 26.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.672 0.749 . . . . 0.0 111.166 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.508 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 54.2 Cg_endo -69.74 143.03 72.68 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.325 -0.022 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -55.92 129.71 40.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.7 tp -80.91 100.95 9.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -94.85 167.07 11.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -62.93 157.77 20.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . 0.451 ' O ' ' N ' ' A' ' 66' ' ' GLN . . . 84.41 -22.74 8.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.64 87.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 110.837 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' GLY . 38.6 tt0 -67.23 115.74 7.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.4 t -76.3 108.01 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.6 t -71.9 -34.85 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.6 mt -155.86 162.79 40.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 37.1 mt -130.89 114.08 26.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.823 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 57.74 34.56 24.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.43 37.86 95.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.496 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -136.46 135.67 38.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.768 0.318 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -58.11 119.74 7.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . 0.408 HG13 ' N ' ' A' ' 76' ' ' ALA . 5.1 pt -114.99 -28.68 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . 0.408 ' N ' HG13 ' A' ' 75' ' ' ILE . . . -47.7 -34.06 7.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -75.56 -26.33 57.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -76.86 155.95 32.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 2.5 p -92.74 172.13 8.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 -179.921 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 6.3 t60 -52.57 -54.64 30.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 179.944 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.46 -58.87 5.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 83' ' ' VAL . 30.2 mm-40 -49.76 -63.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.402 ' C ' ' O ' ' A' ' 82' ' ' GLN . 90.9 t -37.51 -58.69 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 94.1 t -44.24 -43.25 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.935 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.34 -42.38 59.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -53.61 -38.47 64.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 12.2 mt -68.19 -44.32 84.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 69.4 mttm -62.93 -31.92 73.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.61 -26.31 8.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.0 p -40.55 -35.37 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.894 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 3.6 t -64.72 -54.42 31.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -66.23 -26.49 67.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 62.6 mtt-85 -75.97 135.93 40.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 96' ' ' GLY . 12.3 t-80 -39.47 -66.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 63.1 p -58.86 83.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 94' ' ' HIS . . . -46.41 -49.91 14.48 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.489 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.4 pm0 -52.57 167.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.421 ' CD1' ' CZ ' ' A' ' 29' ' ' PHE . 5.7 tt -134.15 145.82 49.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' MET . . . . . 0.475 ' CG ' HD12 ' A' ' 18' ' ' LEU . 24.1 ttm -133.08 144.97 50.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.4 mt -135.09 152.48 51.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 21.1 tp -124.28 99.76 6.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . 0.468 HG22 ' CG1' ' A' ' 17' ' ' VAL . 11.1 m -109.48 171.98 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -104.56 136.25 19.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 161.0 47.62 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.648 2.232 . . . . 0.0 112.361 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -114.17 69.96 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -156.0 133.46 10.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.6 p -90.7 136.6 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.182 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -52.19 163.95 0.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -172.26 160.89 5.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.822 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.4 p -112.91 137.82 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.085 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.2 t -103.33 136.83 34.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.24 160.09 43.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -167.59 109.01 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.2 m -80.6 111.75 17.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -125.31 -179.83 15.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 119.29 6.26 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.351 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.0 m -56.38 109.92 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.839 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 51.5 p -82.89 160.17 22.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 p -165.0 113.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t -171.13 153.07 3.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.61 172.0 44.91 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.468 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.2 p -77.94 155.64 30.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.918 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -126.88 41.94 3.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.14 147.91 20.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -140.95 152.98 45.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.903 0.382 . . . . 0.0 110.875 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.39 -177.37 32.14 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.99 -164.16 28.88 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.534 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 pt -60.99 143.87 91.36 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.66 0.743 . . . . 0.0 111.089 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 120.12 6.95 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.646 2.231 . . . . 0.0 112.34 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -88.79 -59.65 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -44.3 136.67 3.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.6 p30 -79.46 46.06 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 mt -73.92 154.89 39.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.1 t -98.45 137.62 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.7 tp -114.36 132.92 56.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.9 mm -103.2 124.97 57.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.842 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -128.0 121.53 30.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.51 161.82 42.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.98 152.33 42.98 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 128.89 16.72 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.768 2.312 . . . . 0.0 112.328 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -44.39 167.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -48.81 -43.32 38.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -84.24 -23.62 30.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.03 53.66 0.95 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.476 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -143.8 128.13 17.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -84.68 -176.6 6.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' GLY . . . . . 0.465 ' HA3' ' CB ' ' A' ' 52' ' ' THR . . . -132.08 63.57 0.62 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.47 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 4.3 p90 -161.41 129.74 4.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.377 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' ASN . . . . . 0.402 ' CB ' ' HB3' ' A' ' 46' ' ' SER . 11.0 m120 -98.9 168.84 9.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.9 m -140.89 158.14 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -149.74 134.75 17.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.41 -154.33 16.76 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.09 170.9 16.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -49.04 -29.07 4.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.943 0.401 . . . . 0.0 110.892 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -54.93 -33.46 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 41' ' ' MET . 10.3 mt-30 -123.28 30.71 6.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' LYS . . . . . 0.404 ' N ' ' HD3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER 38.92 29.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' GLN . 15.2 ptm -123.59 153.06 66.14 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.545 0.688 . . . . 0.0 110.904 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 150.64 68.51 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.655 2.236 . . . . 0.0 112.376 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.6 t -86.73 104.34 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.3 mp -115.8 147.68 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.6 t -51.21 131.74 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' SER . . . . . 0.402 ' HB3' ' CB ' ' A' ' 32' ' ' ASN . 35.3 t -86.66 -63.94 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -145.98 162.56 37.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 46.2 t -137.71 155.4 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -134.7 148.32 66.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.6 0.714 . . . . 0.0 111.143 179.859 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.6 33.89 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.96 -5.63 61.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' THR . . . . . 0.465 ' CB ' ' HA3' ' A' ' 30' ' ' GLY . 37.5 p -95.29 152.31 39.28 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.578 0.704 . . . . 0.0 111.142 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 3.74 2.62 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.293 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -107.45 -24.36 11.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.06 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -94.37 -11.94 28.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 30.9 mt -105.05 -37.07 7.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 23.5 p -53.94 170.16 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' VAL . . . . . 0.507 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 59.4 t -140.91 133.66 14.41 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.665 0.745 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' PRO . . . . . 0.507 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.74 133.68 26.52 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.339 -0.084 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -54.17 146.98 13.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' LEU . . . . . 0.412 HD22 ' CB ' ' A' ' 31' ' ' PHE . 14.0 tp -100.49 102.4 13.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.977 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -110.35 168.89 9.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -51.48 146.9 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.27 -44.24 1.55 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -49.49 95.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.715 0.293 . . . . 0.0 110.82 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -73.8 127.54 33.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.8 t -77.16 107.78 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.097 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 47.5 t -79.23 -44.32 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.865 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 34.6 mt -148.99 165.1 32.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 180.0 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' ILE . . . . . 0.44 ' O ' ' CG ' ' A' ' 73' ' ' ARG . 31.0 mt -126.05 113.2 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 53.61 41.58 32.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.45 -36.25 2.79 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' ARG . . . . . 0.544 ' HD3' ' CE2' ' A' ' 86' ' ' PHE . 4.9 ptm180 -78.81 157.62 28.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -95.72 148.84 22.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.8 pp -130.92 20.52 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.983 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.97 -29.91 64.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -70.82 -30.97 67.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' HIS . . . . . 0.6 ' CD2' ' CD ' ' A' ' 82' ' ' GLN . 12.0 m170 -79.19 173.04 12.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 80' ' ' HIS . 53.4 p -108.94 161.3 15.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' HIS . . . . . 0.559 ' C ' ' CD2' ' A' ' 80' ' ' HIS . 1.3 t60 -38.01 -49.14 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.83 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -51.58 -59.96 3.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' GLN . . . . . 0.6 ' CD ' ' CD2' ' A' ' 78' ' ' HIS . 51.4 mt-30 -51.54 -65.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 82' ' ' GLN . 66.4 t -35.11 -61.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 96.6 t -49.28 -43.69 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' LEU . . . . . 0.454 ' N ' HD22 ' A' ' 85' ' ' LEU . 4.3 mm? -64.67 -42.96 95.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PHE . . . . . 0.544 ' CE2' ' HD3' ' A' ' 73' ' ' ARG . 23.7 t80 -61.55 -55.23 33.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.4 mt -50.5 -55.41 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -31.9 70.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -57.84 -33.94 69.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 t -47.43 -39.22 15.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 92' ' ' GLU . 77.8 m -61.5 -44.29 97.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 91' ' ' CYS . 34.7 mt-10 -36.15 -40.69 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.97 139.48 49.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -64.26 -56.52 14.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.3 t -69.95 122.55 19.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 135.32 65.34 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 -49.55 159.25 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.379 . . . . 0.0 110.87 -179.878 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' LEU . . . . . 0.467 ' CD1' ' HG ' ' A' ' 100' ' ' LEU . 0.3 OUTLIER -90.98 118.86 30.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.959 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 16.8 mtt -125.29 118.79 26.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' LEU . . . . . 0.467 ' HG ' ' CD1' ' A' ' 98' ' ' LEU . 20.6 mt -125.25 131.43 53.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.0 tp -101.27 105.22 16.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 31.1 m -107.48 152.09 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -90.56 126.12 57.27 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 132.84 24.25 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -109.52 73.91 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 62.6 28.22 16.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.056 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.03 144.96 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 108' ' ' TYR . . . . . 0.418 ' N ' ' CD1' ' A' ' 108' ' ' TYR . 3.2 p90 -121.76 168.9 11.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 109' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 108' ' ' TYR . 37.9 t70 -38.06 106.07 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 97.0 t -91.26 103.81 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 77.3 t -111.57 84.96 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.06 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -126.9 161.61 27.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -169.42 107.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.3 m -139.72 148.68 42.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -137.78 75.78 0.37 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -169.51 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.337 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.8 m -160.98 172.94 16.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 78.2 p -156.46 161.71 40.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 103' ' ' ARG . 82.3 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.869 0.366 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.4 t -82.6 130.5 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 tp -104.47 128.38 52.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.416 HD13 ' HG2' ' A' ' 59' ' ' PRO . 4.7 mm -96.57 120.65 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 -113.0 118.88 36.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.8 ptp -156.85 169.25 25.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.36 150.8 65.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.571 0.7 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 154.15 67.98 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.625 2.217 . . . . 0.0 112.359 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -74.45 174.46 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -45.1 -55.27 5.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -74.27 -28.77 61.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.34 43.6 1.58 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 28' ' ' ARG . 19.9 mtm105 -124.63 144.18 50.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.886 0.374 . . . . 0.0 110.864 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.431 ' CE2' ' HG ' ' A' ' 98' ' ' LEU . 34.1 m-85 -105.44 178.14 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.52 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -121.48 37.94 2.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 26.0 p90 -139.03 126.87 22.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -103.7 151.86 22.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.432 ' HB ' ' CG1' ' A' ' 43' ' ' VAL . 32.7 m -127.16 172.52 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.8 pttt -153.44 148.99 27.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.44 -174.84 27.54 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.473 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.99 170.7 12.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.5 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -42.53 -36.62 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 0.0 110.944 -179.786 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.556 ' HB2' HG22 ' A' ' 79' ' ' THR . 11.9 t0 -53.22 -43.09 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 41' ' ' MET . 31.1 mm-40 -108.7 31.06 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 39' ' ' GLN . 0.4 OUTLIER 32.8 36.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 39' ' ' GLN . 16.9 ptm -130.07 152.67 80.43 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.836 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 154.02 68.25 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.432 ' CG1' ' HB ' ' A' ' 33' ' ' VAL . 21.9 t -89.23 106.48 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.97 140.68 43.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.5 t -50.54 143.19 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.1 p -107.24 -52.42 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.785 ' NH1' ' HB2' ' A' ' 49' ' ' ALA . 2.9 tmm_? -145.7 144.11 30.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.708 HG23 ' OE2' ' A' ' 63' ' ' GLU . 96.8 t -131.12 117.04 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.785 ' HB2' ' NH1' ' A' ' 47' ' ' ARG . . . -90.15 152.6 46.18 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.558 0.694 . . . . 0.0 111.114 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.759 ' O ' HG23 ' A' ' 52' ' ' THR . 53.3 Cg_endo -69.77 -169.47 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.326 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 40.35 38.7 1.45 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.759 HG23 ' O ' ' A' ' 50' ' ' PRO . 42.1 p -128.3 153.08 78.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.626 0.727 . . . . 0.0 111.132 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 2.83 3.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -110.42 -10.06 14.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -109.82 -21.8 12.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.2 mt -93.97 -27.68 16.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 18.8 p -67.92 165.92 16.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.659 HG13 ' HA ' ' A' ' 59' ' ' PRO . 84.1 t -134.77 137.39 27.32 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.594 0.712 . . . . 0.0 111.151 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.659 ' HA ' HG13 ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.81 135.68 35.14 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.386 0.013 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -55.83 140.22 43.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.1 tp -89.66 93.05 9.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -88.57 168.23 12.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.708 ' OE2' HG23 ' A' ' 48' ' ' VAL . 79.0 mm-40 -63.3 138.48 58.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.72 -32.7 6.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -52.92 101.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.747 0.308 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -79.65 122.1 26.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.967 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 50.1 t -78.58 115.32 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.555 HG12 ' HG ' ' A' ' 69' ' ' LEU . 60.8 t -87.75 -35.45 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.555 ' HG ' HG12 ' A' ' 68' ' ' VAL . 56.2 mt -155.87 170.15 22.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.923 HD12 HG21 ' A' ' 75' ' ' ILE . 68.8 mt -135.53 133.13 52.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.582 ' ND2' HG22 ' A' ' 70' ' ' ILE . 21.9 p30 38.35 30.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 72' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . 77.3 42.41 18.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 70' ' ' ILE . 23.5 mmt180 -135.51 143.04 45.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.09 88.95 5.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.808 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.923 HG21 HD12 ' A' ' 70' ' ' ILE . 2.5 pp -87.22 26.43 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.03 -39.01 17.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -87.51 26.23 1.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -124.93 125.84 44.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.818 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.556 HG22 ' HB2' ' A' ' 38' ' ' ASP . 37.4 p -67.44 155.85 38.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 79' ' ' THR . 55.5 t60 -35.66 -61.47 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -44.8 -48.27 10.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -64.02 -58.11 7.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.4 t -47.44 -57.11 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 77.3 t -47.35 -43.25 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.5 mt -69.54 -44.51 70.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -45.24 -61.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.583 HG23 HD21 ' A' ' 98' ' ' LEU . 19.0 mt -46.89 -50.08 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 89' ' ' ALA . 22.9 mttm -54.62 -49.54 70.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 88' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.087 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.855 0.359 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.583 HD21 HG23 ' A' ' 87' ' ' ILE . 0.7 OUTLIER -91.43 104.49 17.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 10.7 mtt -109.72 132.79 53.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.484 HD21 HD11 ' A' ' 98' ' ' LEU . 7.9 mt -128.72 114.66 16.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.4 tp -84.11 101.61 11.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.6 m -110.28 144.66 17.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.524 ' HB3' HD22 ' A' ' 16' ' ' LEU . 11.3 ptm180 -94.25 136.69 23.25 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.648 0.737 . . . . 0.0 110.813 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.853 0.359 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.493 HG13 ' HG3' ' A' ' 59' ' ' PRO . 96.8 t -102.75 129.97 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.1 tp -101.02 137.61 39.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.418 HD13 ' HG2' ' A' ' 59' ' ' PRO . 14.4 mm -111.12 120.43 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.2 mtm180 -115.07 127.93 55.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.7 ptp -158.38 157.0 31.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -120.91 148.52 48.82 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.598 0.713 . . . . 0.0 110.866 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 139.9 41.15 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.03 -176.35 1.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -56.45 -41.35 76.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -74.35 -16.19 60.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.51 45.94 12.92 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -135.85 147.72 48.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.868 ' CE2' HD22 ' A' ' 98' ' ' LEU . 69.1 m-85 -100.85 169.81 8.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.07 50.53 0.8 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.443 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 11.3 p90 -150.25 124.47 9.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -99.63 151.4 21.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.1 m -126.32 150.94 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -140.7 138.35 34.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.462 ' HA2' ' CG ' ' A' ' 41' ' ' MET . . . 116.96 165.75 13.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.453 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.55 -161.36 32.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -79.24 -41.24 28.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.839 0.352 . . . . 0.0 110.928 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -63.95 -36.1 82.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' LYS . 14.7 mm100 -92.21 11.65 24.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' GLN . 0.5 OUTLIER 34.86 53.4 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.462 ' CG ' ' HA2' ' A' ' 35' ' ' GLY . 13.3 ptm -148.84 152.76 37.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.59 0.71 . . . . 0.0 110.868 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 153.69 68.35 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.249 . . . . 0.0 112.315 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.434 HG21 HD13 ' A' ' 75' ' ' ILE . 46.0 t -87.57 106.02 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mp -121.96 141.88 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.581 HG11 ' CG2' ' A' ' 48' ' ' VAL . 66.7 t -50.66 102.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.6 t -55.4 -65.84 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 tpt85 -142.99 152.73 42.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.581 ' CG2' HG11 ' A' ' 45' ' ' VAL . 47.7 t -134.86 125.17 45.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.77 151.11 39.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.604 0.716 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.445 ' O ' HG23 ' A' ' 52' ' ' THR . 53.4 Cg_endo -69.8 179.1 3.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 44.99 46.41 9.49 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 50' ' ' PRO . 17.7 p -131.13 154.56 82.03 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.579 0.704 . . . . 0.0 111.161 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 0.42 5.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.734 2.29 . . . . 0.0 112.36 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.13 -16.04 14.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -102.09 -58.08 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.2 mt -53.62 -16.36 1.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 15.0 p -69.6 170.28 11.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.506 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 5.3 p -141.29 131.66 13.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.561 0.696 . . . . 0.0 111.175 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.3 Cg_endo -69.82 134.24 28.84 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.309 0.047 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -45.61 142.81 2.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.0 tp -91.36 85.18 5.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -89.64 146.66 24.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.0 mp0 -45.66 158.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 66' ' ' GLN . . . 91.89 -38.43 3.2 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -55.19 85.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.764 0.316 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 64' ' ' GLY . 39.7 tt0 -54.4 150.83 8.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.1 t -102.36 105.49 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.488 HG12 ' HG ' ' A' ' 69' ' ' LEU . 89.6 t -73.98 -50.24 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.488 ' HG ' HG12 ' A' ' 68' ' ' VAL . 68.5 mt -147.07 136.36 22.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.806 HD12 HG21 ' A' ' 75' ' ' ILE . 83.1 mt -106.13 126.09 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.9 m120 48.58 26.11 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 75.37 35.11 48.88 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -130.55 151.79 50.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.822 0.344 . . . . 0.0 110.846 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -80.32 120.07 23.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.806 HG21 HD12 ' A' ' 70' ' ' ILE . 2.7 pp -119.55 7.56 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.14 -47.79 55.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.141 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.68 -30.41 65.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.837 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -68.97 140.13 55.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 80' ' ' HIS . 62.0 p -76.08 156.8 33.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 79' ' ' THR . 4.5 t-80 -36.29 -62.42 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -46.93 -55.89 7.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -50.36 -60.32 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.441 HG22 ' HB ' ' A' ' 75' ' ' ILE . 90.0 t -45.7 -54.93 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.4 t -50.9 -38.77 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.3 mt -69.4 -50.53 45.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 30.5 t80 -43.99 -57.2 3.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 72.0 mt -47.61 -49.84 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -55.98 -44.66 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 86' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.834 0.349 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.868 HD22 ' CE2' ' A' ' 29' ' ' PHE . 10.3 tp -99.03 130.64 45.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 27.0 mtp -129.49 126.27 38.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.0 mt -122.62 123.51 41.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.0 tp -90.87 101.87 14.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.7 m -111.81 163.68 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.5 ttm-85 -104.92 137.03 19.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.612 0.72 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.14 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.81 0.338 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.0 t -88.22 145.65 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.3 tp -121.92 141.02 51.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.415 HG13 HD13 ' A' ' 61' ' ' LEU . 21.5 mm -113.15 144.82 20.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -138.01 123.77 19.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.5 ptp -160.55 160.68 32.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.93 144.08 36.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.563 0.697 . . . . 0.0 110.927 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' PRO . . . . . 0.474 ' HD3' ' CZ ' ' A' ' 29' ' ' PHE . 54.2 Cg_endo -69.71 89.14 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.691 2.261 . . . . 0.0 112.356 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' GLU . 27.1 t70 -122.3 -71.21 0.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 24' ' ' ASP . 15.1 mp0 -35.53 -60.03 0.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -124.38 19.14 8.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.44 23.66 35.58 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -155.44 154.34 31.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.474 ' CZ ' ' HD3' ' A' ' 23' ' ' PRO . 26.2 m-85 -89.23 132.9 34.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.603 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -90.41 73.79 1.84 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.524 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.506 ' HZ ' HD13 ' A' ' 87' ' ' ILE . 7.5 p90 -158.5 128.01 5.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -102.6 166.01 10.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.9 m -140.38 168.89 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -153.98 171.79 18.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.8 -154.59 34.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 130.23 169.0 12.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -54.36 -21.33 9.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.924 0.392 . . . . 0.0 110.946 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -65.28 -38.88 91.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -108.22 25.07 12.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.4 39.58 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.6 ptm -131.18 151.96 79.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.559 0.695 . . . . 0.0 110.844 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.718 ' HG2' HD11 ' A' ' 44' ' ' ILE . 53.8 Cg_endo -69.77 155.93 64.64 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.0 t -87.93 107.56 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.718 HD11 ' HG2' ' A' ' 42' ' ' PRO . 4.9 mp -117.65 141.45 36.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 78.1 t -51.91 128.27 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.175 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.3 t -82.64 -63.29 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -143.38 163.79 32.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 30' ' ' GLY . 21.1 t -140.4 117.36 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.83 149.81 60.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.627 0.727 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 175.4 8.15 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 47.12 49.03 19.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.603 HG21 ' HA3' ' A' ' 30' ' ' GLY . 12.2 p -131.86 155.02 81.9 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.721 . . . . 0.0 111.159 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 2.72 3.26 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.668 2.245 . . . . 0.0 112.33 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.55 -18.58 14.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.091 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -97.14 -51.2 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.06 -22.04 66.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.7 p -64.72 161.95 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.463 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 52.5 t -124.93 125.05 25.43 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.678 0.751 . . . . 0.0 111.092 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.3 Cg_endo -69.8 179.43 22.41 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.337 -0.028 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -89.44 121.83 32.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.415 HD13 HG13 ' A' ' 19' ' ' ILE . 14.0 tp -69.58 94.61 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -99.88 163.06 12.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.57 150.18 36.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.65 -39.58 2.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -51.98 105.07 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.745 0.307 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -72.61 117.6 14.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.8 t -69.11 108.6 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.556 HG12 ' HG ' ' A' ' 69' ' ' LEU . 63.7 t -83.01 -54.74 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.556 ' HG ' HG12 ' A' ' 68' ' ' VAL . 85.2 mt -140.99 143.24 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.629 HG22 ' ND2' ' A' ' 71' ' ' ASN . 94.9 mt -111.48 113.39 44.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.629 ' ND2' HG22 ' A' ' 70' ' ' ILE . 55.1 m-20 58.86 45.58 15.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.21 33.09 57.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.426 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -127.91 143.78 51.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.807 0.337 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -80.03 109.41 14.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.613 ' O ' HD12 ' A' ' 75' ' ' ILE . 2.6 pp -113.71 18.04 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.75 -18.39 60.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -96.2 1.76 52.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -96.57 148.08 23.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 80' ' ' HIS . 34.4 p -88.46 156.24 19.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.442 ' O ' HG23 ' A' ' 84' ' ' VAL . 3.1 t-80 -35.09 -55.45 0.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -56.17 -59.57 4.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -49.83 -63.11 1.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.9 t -40.35 -55.2 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 80' ' ' HIS . 41.4 t -47.42 -45.6 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.9 mp -71.58 -32.5 68.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -57.94 -42.61 85.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.572 HG23 ' CD1' ' A' ' 98' ' ' LEU . 47.0 mt -67.84 -37.48 78.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.08 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -57.32 -44.41 84.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.831 . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.936 0.398 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.572 ' CD1' HG23 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -92.53 153.87 18.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.478 ' N ' ' HG ' ' A' ' 98' ' ' LEU . 6.2 mtt -136.91 141.61 42.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.4 mt -124.91 113.69 18.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.3 tp -84.64 101.12 11.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.3 m -105.42 169.06 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.1 ttt85 -107.95 136.19 19.77 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.407 ' CD2' ' HG3' ' A' ' 103' ' ' ARG . 29.9 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.852 0.358 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.1 t -96.66 148.66 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 tp -124.23 142.09 51.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.414 HD13 ' HG2' ' A' ' 59' ' ' PRO . 7.8 mm -105.14 134.36 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.7 mtm-85 -133.59 126.5 31.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -154.6 174.46 14.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -125.33 148.93 62.69 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.573 0.701 . . . . 0.0 110.909 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 130.66 19.66 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.67 2.247 . . . . 0.0 112.324 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -52.45 -176.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -54.84 -59.92 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -67.42 -18.28 65.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.81 46.98 3.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.43 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -131.74 148.48 52.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -100.56 -177.87 3.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.508 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -136.07 50.88 0.83 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 8.4 p90 -147.05 127.27 13.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -99.15 161.11 13.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.7 m -134.26 161.49 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -151.32 163.14 39.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.526 ' O ' HG22 ' A' ' 43' ' ' VAL . . . 73.66 155.21 3.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.481 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -173.19 -156.46 13.03 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -74.4 -37.68 63.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.868 0.366 . . . . 0.0 110.938 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -63.11 -14.65 51.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -115.88 7.58 14.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt 52.98 27.63 5.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 17.5 ptm -129.16 152.58 79.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.545 0.688 . . . . 0.0 110.869 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.826 ' HG2' HD11 ' A' ' 44' ' ' ILE . 54.1 Cg_endo -69.71 156.97 62.09 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.67 2.247 . . . . 0.0 112.372 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 35' ' ' GLY . 54.9 t -86.91 106.3 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.826 HD11 ' HG2' ' A' ' 42' ' ' PRO . 4.1 mp -115.48 149.76 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 32.1 t -58.37 127.56 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 t -80.23 -62.24 1.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -144.88 155.41 43.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.9 t -139.53 113.73 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.47 151.0 71.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 111.067 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 167.64 23.86 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.656 2.238 . . . . 0.0 112.321 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.56 34.97 78.27 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.544 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.508 HG21 ' HA3' ' A' ' 30' ' ' GLY . 18.9 p -116.94 154.61 49.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.589 0.709 . . . . 0.0 111.132 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -3.29 11.74 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.4 -8.73 18.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -102.78 -50.94 3.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.95 -10.9 59.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.9 p -71.72 174.35 6.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.505 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 4.6 p -142.98 129.4 10.53 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.575 0.702 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.81 134.4 29.47 Favored 'Cis proline' 0 C--O 1.231 0.148 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.313 -0.04 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.5 ttt180 -52.64 122.84 9.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.0 tp -77.06 99.87 5.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -107.16 160.03 15.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -49.16 139.77 10.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.8 -33.66 6.16 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.31 90.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -69.42 119.35 13.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.5 t -78.7 125.66 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.697 HG12 ' HG ' ' A' ' 69' ' ' LEU . 48.3 t -98.28 -56.05 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.697 ' HG ' HG12 ' A' ' 68' ' ' VAL . 17.7 mt -137.95 139.87 39.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.719 HD12 HG21 ' A' ' 75' ' ' ILE . 95.0 mt -104.65 117.12 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 56.74 26.84 11.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.06 38.36 19.24 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -130.62 148.61 52.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -83.16 86.0 7.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.719 HG21 HD12 ' A' ' 70' ' ' ILE . 2.7 pp -88.44 -17.69 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.67 -27.95 69.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -82.08 -7.11 59.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -101.58 149.41 24.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 81.2 p -64.9 162.82 15.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -55.72 -58.3 8.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -41.37 -65.8 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -44.62 -56.02 4.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 86' ' ' PHE . 20.0 t -44.74 -58.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 85.6 t -44.81 -44.81 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.9 mp -71.51 -25.31 62.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 83' ' ' VAL . 7.9 t80 -60.26 -57.55 12.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 22.9 mt -65.14 -35.83 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -57.08 -42.49 80.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.803 . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.914 0.388 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.0 tp -113.74 107.74 16.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 24.4 mtp -108.75 99.2 8.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.523 HD23 HG23 ' A' ' 70' ' ' ILE . 2.1 mt -103.61 124.61 49.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.0 tp -90.43 100.68 13.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 6.0 m -103.47 156.44 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.407 ' HG3' ' CD2' ' A' ' 16' ' ' LEU . 33.9 ttt180 -101.75 136.8 19.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 110.83 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.855 0.36 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.1 t -93.84 120.81 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.1 tp -97.56 133.19 42.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.444 HD13 ' HG2' ' A' ' 59' ' ' PRO . 22.4 mm -104.59 104.52 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -99.49 117.17 33.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.4 ptp -147.14 174.68 11.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -128.01 150.83 74.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.558 0.694 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 133.13 24.86 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.725 2.283 . . . . 0.0 112.36 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -49.84 179.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -53.45 -57.0 12.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -70.23 -20.73 63.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.67 43.82 1.9 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -126.19 156.33 40.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -113.07 179.13 4.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -131.72 65.04 0.6 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.475 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 8.0 p90 -165.23 128.41 2.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -104.81 164.54 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.2 m -134.16 162.74 38.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -152.51 137.92 17.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.58 -171.93 14.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.498 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.76 174.81 13.53 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.544 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -53.82 -33.31 55.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.875 0.369 . . . . 0.0 110.899 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -54.02 -34.1 59.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 40' ' ' LYS . 68.1 mt-30 -118.67 28.98 7.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.457 ' N ' ' HD3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER 35.3 41.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.9 ptm -137.2 151.93 72.62 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.563 0.697 . . . . 0.0 110.915 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.741 ' O ' HD12 ' A' ' 44' ' ' ILE . 53.8 Cg_endo -69.79 142.37 47.62 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.329 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.2 t -79.99 108.16 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.741 HD12 ' O ' ' A' ' 42' ' ' PRO . 5.0 mp -116.07 148.74 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 71.4 t -52.65 124.22 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.4 t -77.71 -66.11 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 17.8 tpp85 -142.9 154.93 44.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.428 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 88.3 t -136.5 113.7 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.53 149.31 78.12 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 0.0 111.123 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 163.65 37.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.379 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 51.67 56.53 15.38 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 p -134.55 157.0 78.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.6 0.714 . . . . 0.0 111.143 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -0.39 6.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.709 2.273 . . . . 0.0 112.291 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.19 -14.13 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -102.49 -54.86 2.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.1 mt -58.88 -18.89 37.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.4 p -66.0 147.81 52.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.455 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 97.2 t -115.0 124.88 29.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.62 0.724 . . . . 0.0 111.127 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.76 163.81 80.87 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.737 -1.776 . . . . 0.0 112.358 -0.07 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -78.29 134.13 37.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.1 tp -90.12 99.76 12.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -108.11 160.15 16.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -52.09 132.38 32.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.64 -43.81 1.41 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.33 102.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -71.81 119.76 16.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.86 116.43 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.77 HG12 ' HG ' ' A' ' 69' ' ' LEU . 59.7 t -95.52 -54.87 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.77 ' HG ' HG12 ' A' ' 68' ' ' VAL . 13.0 mt -140.25 140.57 35.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.578 HD12 HG21 ' A' ' 75' ' ' ILE . 60.9 mt -99.35 123.7 52.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.4 p30 43.38 34.71 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.28 44.76 12.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.445 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -135.81 144.84 45.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 110.872 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.89 110.91 18.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.717 ' O ' HD12 ' A' ' 75' ' ' ILE . 2.8 pp -126.53 32.41 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -88.97 -41.81 12.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.074 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -73.36 -30.41 63.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -65.38 144.38 57.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 80' ' ' HIS . 59.3 p -78.23 151.96 32.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.421 ' O ' HG23 ' A' ' 84' ' ' VAL . 44.4 t60 -36.66 -59.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -38.65 -61.59 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 83' ' ' VAL . 10.0 tm0? -49.01 -67.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 86' ' ' PHE . 58.1 t -37.18 -65.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 80' ' ' HIS . 69.2 t -35.96 -48.67 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.7 mp -70.27 -41.26 73.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 83' ' ' VAL . 3.1 t80 -44.87 -58.97 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.7 mt -54.34 -51.21 50.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -48.39 -48.0 37.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.09 179.832 . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.901 0.381 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.435 HD13 ' N ' ' A' ' 99' ' ' MET . 0.3 OUTLIER -85.23 118.88 25.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.435 ' N ' HD13 ' A' ' 98' ' ' LEU . 2.9 mtp -120.17 138.45 53.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.4 mt -136.39 132.71 35.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.6 tp -98.88 99.62 10.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 25.4 m -105.45 150.97 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -89.97 133.63 33.4 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.565 0.697 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.8 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.852 0.358 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.499 ' HB ' HG23 ' A' ' 102' ' ' VAL . 92.0 t -103.0 135.28 41.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.429 HD11 ' HB3' ' A' ' 99' ' ' MET . 12.9 tp -109.25 140.86 42.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.7 mm -114.77 107.18 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -104.47 129.04 52.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.11 164.31 36.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.72 152.58 45.64 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.587 0.708 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 125.65 12.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.377 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -54.34 177.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -46.2 -48.63 17.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -83.98 -25.58 29.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.28 -33.64 3.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.444 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -49.66 128.51 17.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.444 ' CE1' HD13 ' A' ' 98' ' ' LEU . 37.3 m-85 -78.33 -58.13 3.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.492 ' O ' HG13 ' A' ' 48' ' ' VAL . . . 122.01 46.54 0.3 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.475 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -163.32 143.6 8.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.917 0.389 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -115.75 168.37 10.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.1 m -136.12 157.41 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -147.21 166.32 27.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.22 -142.15 17.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.52 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 112.0 161.75 16.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.523 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -41.51 -34.42 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.885 0.374 . . . . 0.0 110.912 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -55.18 -44.65 75.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -100.02 29.07 4.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt 39.21 32.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 19.7 ptm -132.81 150.93 77.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 110.875 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 158.42 57.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.368 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.1 t -76.45 105.22 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 64' ' ' GLY . 14.1 mm -111.81 140.94 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.9 t -53.33 124.56 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -77.94 -63.94 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 16.7 tpt180 -146.13 151.71 38.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 30' ' ' GLY . 57.6 t -137.68 107.8 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.7 143.46 71.6 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.639 0.733 . . . . 0.0 111.086 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 168.85 20.4 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.54 30.05 76.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.4 p -122.26 154.2 61.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.717 . . . . 0.0 111.119 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 1.03 4.82 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.64 2.227 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.96 -20.65 16.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.425 ' OD1' ' NE ' ' A' ' 60' ' ' ARG . 7.6 t70 -99.07 -61.62 1.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.9 mt -49.25 -18.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 9.1 p -64.81 166.57 8.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.479 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 2.1 p -135.92 125.2 15.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.731 . . . . 0.0 111.169 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 54.1 Cg_endo -69.78 133.69 26.66 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.35 -0.026 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.425 ' NE ' ' OD1' ' A' ' 55' ' ' ASP . 36.7 ttt180 -54.76 133.23 47.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.5 tp -76.17 100.43 5.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -103.77 162.39 13.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -57.7 141.27 49.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.588 ' O ' HG23 ' A' ' 44' ' ' ILE . . . 111.65 -42.12 2.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -38.31 114.2 0.35 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.804 0.335 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -87.73 105.22 17.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.4 t -70.2 121.85 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.081 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.521 HG12 ' HG ' ' A' ' 69' ' ' LEU . 57.6 t -99.64 -46.07 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.521 ' HG ' HG12 ' A' ' 68' ' ' VAL . 76.1 mt -140.0 141.3 36.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.985 HD12 HG21 ' A' ' 75' ' ' ILE . 43.5 mt -105.95 102.66 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 m120 63.21 30.38 15.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.75 39.45 11.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.457 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -135.2 140.68 45.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.33 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.424 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 65.6 m-20 -67.63 115.36 7.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.985 HG21 HD12 ' A' ' 70' ' ' ILE . 2.5 pp -124.21 -10.63 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.1 -7.89 57.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -109.57 17.76 21.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -125.67 156.1 39.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 42.5 p -72.37 172.61 10.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.179 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -54.24 -52.73 60.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.92 -63.12 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -42.27 -61.09 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.1 t -44.76 -62.05 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.468 ' CG1' ' HD2' ' A' ' 88' ' ' LYS . 37.3 t -43.81 -56.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.31 -32.83 67.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -58.96 -48.87 79.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 9.8 mt -77.5 -49.41 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.109 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.468 ' HD2' ' CG1' ' A' ' 84' ' ' VAL . 29.9 mtpt -50.36 -51.3 47.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.863 HD21 HD21 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -118.48 142.38 47.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.953 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.429 ' HB3' HD11 ' A' ' 18' ' ' LEU . 3.7 mtt -129.39 141.35 51.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.863 HD21 HD21 ' A' ' 98' ' ' LEU . 8.6 mt -125.75 122.97 37.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.8 tp -90.0 102.98 15.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.499 HG23 ' HB ' ' A' ' 17' ' ' VAL . 14.1 m -106.86 155.19 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -97.8 135.91 21.37 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.563 0.697 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.373 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.463 HD13 HD21 ' A' ' 101' ' ' LEU . 16.4 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.853 0.359 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.476 HG13 ' HG3' ' A' ' 59' ' ' PRO . 96.5 t -88.32 117.37 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.763 HD11 ' CG ' ' A' ' 99' ' ' MET . 19.1 tp -93.95 142.11 27.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.3 mm -117.79 113.32 41.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -115.68 120.37 39.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.4 ptp -151.61 167.87 26.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -116.79 153.39 49.26 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.604 0.716 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 112.42 3.07 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -50.89 177.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -47.57 -54.46 11.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -84.77 29.37 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 45.21 48.86 10.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.525 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -126.48 113.58 17.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.357 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.464 ' CE1' HD22 ' A' ' 98' ' ' LEU . 38.7 m-85 -56.49 -56.79 16.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.404 ' O ' HG13 ' A' ' 48' ' ' VAL . . . 114.33 46.32 0.64 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -165.34 152.14 10.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -117.19 161.55 19.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.8 m -128.61 159.56 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -147.94 146.93 29.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.57 ' O ' HG22 ' A' ' 43' ' ' VAL . . . 89.89 163.41 39.18 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.5 165.94 27.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -42.66 -40.15 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.872 0.368 . . . . 0.0 110.923 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.21 -40.81 25.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 40' ' ' LYS . 30.6 mt-30 -106.55 35.35 3.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 39' ' ' GLN . 14.7 mmmt 34.41 41.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.3 ptm -141.52 153.12 65.12 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.482 0.658 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.523 ' HG2' HD11 ' A' ' 44' ' ' ILE . 53.8 Cg_endo -69.72 161.53 45.58 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.248 . . . . 0.0 112.324 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 35' ' ' GLY . 62.0 t -96.37 98.17 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.155 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.523 HD11 ' HG2' ' A' ' 42' ' ' PRO . 4.7 mp -107.01 144.81 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.3 t -50.32 136.96 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 t -93.36 -62.56 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.815 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 9.1 tpp180 -144.76 152.39 40.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.449 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 48.1 t -134.81 127.93 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.138 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.35 145.76 30.21 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.556 0.693 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 174.9 8.85 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.328 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.48 40.95 93.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.7 p -134.45 152.35 77.77 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.611 0.72 . . . . 0.0 111.075 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 2.75 3.26 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.65 2.234 . . . . 0.0 112.328 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -102.49 -19.73 14.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -98.39 -52.52 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.0 mt -58.67 -32.77 69.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 22.1 p -53.54 158.12 1.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.475 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 19.9 t -120.85 124.64 27.4 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.635 0.731 . . . . 0.0 111.086 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.476 ' HG3' HG13 ' A' ' 17' ' ' VAL . 53.1 Cg_endo -69.8 173.18 45.81 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.349 -0.031 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -85.7 119.63 26.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 33.9 tp -70.86 91.47 0.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -108.6 169.01 8.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -52.04 149.33 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.55 -44.15 1.53 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -44.37 106.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.748 0.308 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -85.98 114.65 23.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.3 t -69.08 127.16 30.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.581 HG12 ' HG ' ' A' ' 69' ' ' LEU . 39.5 t -105.13 -47.17 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.581 ' HG ' HG12 ' A' ' 68' ' ' VAL . 14.7 mt -149.92 146.55 27.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.642 ' CG1' HG21 ' A' ' 75' ' ' ILE . 7.3 mm -100.96 116.26 44.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 52.26 38.86 25.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 69.41 41.05 79.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.549 ' HD2' ' CZ ' ' A' ' 86' ' ' PHE . 23.4 ttm-85 -131.21 145.35 51.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.465 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 25.9 t0 -69.85 112.89 6.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.642 HG21 ' CG1' ' A' ' 70' ' ' ILE . 2.6 pp -120.97 -31.95 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.516 ' N ' HD12 ' A' ' 75' ' ' ILE . . . -51.93 -16.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -99.85 21.09 13.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -128.65 161.08 30.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 80' ' ' HIS . 80.7 p -77.19 149.16 35.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.44 ' CD2' HG23 ' A' ' 84' ' ' VAL . 10.9 t-160 -35.14 -60.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -39.72 -61.11 0.87 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -41.41 -52.68 3.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.8 t -54.15 -51.66 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.44 HG23 ' CD2' ' A' ' 80' ' ' HIS . 97.7 t -57.36 -43.62 82.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.46 -41.8 93.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.549 ' CZ ' ' HD2' ' A' ' 73' ' ' ARG . 6.3 t80 -60.64 -59.23 5.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 67.9 mt -43.13 -65.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 89' ' ' ALA . 45.7 mttm -52.79 -51.69 59.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 88' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.88 0.371 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.564 HD21 HD21 ' A' ' 100' ' ' LEU . 16.7 tp -119.92 126.06 49.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.763 ' CG ' HD11 ' A' ' 18' ' ' LEU . 5.4 ttm -108.25 103.46 12.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.564 HD21 HD21 ' A' ' 98' ' ' LEU . 14.0 mt -102.46 153.56 19.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.463 HD21 HD13 ' A' ' 16' ' ' LEU . 14.2 tp -123.05 100.92 7.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.3 m -109.06 142.4 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.108 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -88.22 136.75 31.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.595 0.712 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.616 2.21 . . . . 0.0 112.337 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.858 0.361 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.59 ' CG1' HG23 ' A' ' 102' ' ' VAL . 10.2 p -91.45 149.63 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.83 HD11 ' HG2' ' A' ' 99' ' ' MET . 9.1 tp -114.57 144.97 42.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.519 HD13 ' HG2' ' A' ' 59' ' ' PRO . 7.0 mm -116.73 123.68 71.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -121.64 136.98 54.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 21' ' ' MET . . . . . 0.527 ' HE1' HD12 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -162.8 156.42 20.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -118.05 149.53 45.71 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.629 0.728 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 149.31 66.72 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.2 -176.06 5.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.818 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -49.94 -53.12 28.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -67.01 -18.95 65.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.43 43.25 10.61 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.5 mtp85 -140.12 144.95 37.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.429 ' CE2' ' CD1' ' A' ' 98' ' ' LEU . 95.8 m-85 -96.42 -177.28 3.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.591 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -128.5 73.06 0.46 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.451 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 25.6 p90 -165.37 130.44 2.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.372 . . . . 0.0 110.903 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -107.71 158.2 17.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.8 m -132.93 166.63 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -151.42 134.28 15.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.713 ' O ' HG22 ' A' ' 43' ' ' VAL . . . 108.53 157.15 18.72 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.28 -159.46 18.76 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.436 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.448 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 35.6 t80 -79.15 -30.11 43.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.923 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.453 ' HB3' ' NE2' ' A' ' 39' ' ' GLN . 2.3 t70 -71.03 -38.23 72.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' A' ' 38' ' ' ASP . 19.8 mp0 -88.63 15.11 8.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.4 mttt 42.5 29.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.7 ptm -130.44 152.41 80.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.561 0.696 . . . . 0.0 110.869 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.44 ' HG2' ' CD1' ' A' ' 44' ' ' ILE . 53.9 Cg_endo -69.77 157.32 60.77 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.332 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.713 HG22 ' O ' ' A' ' 35' ' ' GLY . 60.5 t -91.61 99.85 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.44 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 4.2 mp -114.16 142.87 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 74.2 t -53.38 128.39 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.3 p -87.45 -63.77 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -138.72 149.63 45.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.1 t -135.77 119.38 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.07 146.21 48.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.576 0.703 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 177.91 5.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.736 2.291 . . . . 0.0 112.324 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.52 35.66 45.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.591 HG21 ' HA3' ' A' ' 30' ' ' GLY . 22.7 p -123.84 154.09 67.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.541 0.686 . . . . 0.0 111.151 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 2.45 3.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.378 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -110.97 -13.45 14.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -107.47 -8.82 16.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.0 mt -108.64 -29.19 8.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.1 p -54.1 155.6 3.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.456 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 38.3 t -117.84 124.72 28.56 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.721 . . . . 0.0 111.129 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.519 ' HG2' HD13 ' A' ' 19' ' ' ILE . 53.9 Cg_endo -69.75 169.6 62.51 Favored 'Cis proline' 0 C--N 1.341 0.152 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.328 -0.024 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -83.7 139.21 32.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 24.7 tp -86.29 84.4 7.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -85.84 150.33 24.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -50.32 137.95 17.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 66' ' ' GLN . . . 111.53 -34.39 5.29 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.429 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -51.99 90.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.794 0.331 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 64' ' ' GLY . 10.9 tt0 -64.43 122.71 17.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.4 t -80.99 127.3 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.1 t -102.14 -34.46 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 74' ' ' ASP . 72.1 mt -151.44 132.85 14.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 99.0 mt -104.61 105.54 18.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 61.96 40.06 12.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.841 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.57 46.82 82.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.592 ' O ' HG23 ' A' ' 75' ' ' ILE . 10.4 tpt180 -137.82 125.75 22.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.341 . . . . 0.0 110.836 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.459 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -61.95 88.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' ' 73' ' ' ARG . 1.9 pp -93.85 -15.74 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.29 -24.16 6.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.085 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 37' ' ' TYR . 8.4 mm-40 -95.72 -29.02 14.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -64.09 142.76 58.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.9 p -70.72 153.37 42.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -47.49 -47.05 27.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.26 -61.94 1.92 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 83' ' ' VAL . 47.1 mm-40 -54.85 -63.9 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.479 HG22 ' HB ' ' A' ' 75' ' ' ILE . 31.5 t -36.15 -62.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.644 HG12 ' HE2' ' A' ' 88' ' ' LYS . 20.9 t -41.93 -47.44 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.5 mp -68.48 -46.98 68.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.451 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 5.6 t80 -42.59 -45.33 4.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 52.3 mt -61.18 -45.22 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.644 ' HE2' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -64.91 -25.6 67.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.823 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 86' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.905 0.383 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.462 HD21 HD21 ' A' ' 100' ' ' LEU . 1.2 tt -118.02 133.87 55.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.83 ' HG2' HD11 ' A' ' 18' ' ' LEU . 5.2 ttm -129.47 120.49 25.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.527 HD12 ' HE1' ' A' ' 21' ' ' MET . 5.7 mt -117.68 158.59 24.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 101' ' ' LEU . 8.9 tp -119.38 106.06 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.59 HG23 ' CG1' ' A' ' 17' ' ' VAL . 16.1 m -117.38 160.75 16.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -105.06 128.31 26.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.583 0.706 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.381 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.834 0.35 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.4 t -82.47 133.48 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.8 tp -110.94 141.29 44.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.409 HG13 HD13 ' A' ' 61' ' ' LEU . 35.5 mm -111.96 135.17 52.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -135.01 124.78 25.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.5 ptp -149.51 169.44 20.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.1 pttt -126.94 150.93 73.17 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.601 0.715 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 135.75 31.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.652 2.235 . . . . 0.0 112.324 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -69.58 176.82 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -46.82 -46.6 20.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -67.77 -27.29 66.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.75 41.04 5.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.467 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -135.27 148.08 49.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.585 ' CZ ' HD22 ' A' ' 98' ' ' LEU . 73.1 m-85 -87.9 -175.04 4.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -136.89 59.94 0.63 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -162.74 133.37 4.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.37 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -103.11 157.83 16.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.8 m -131.36 140.21 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -132.63 158.55 41.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.71 -145.4 17.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.09 171.07 23.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -42.45 -35.58 1.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.357 . . . . 0.0 110.913 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -46.29 -43.0 15.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 41' ' ' MET . 13.5 mm-40 -114.92 38.1 3.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 39' ' ' GLN . 11.9 mttp 35.31 31.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 39' ' ' GLN . 19.0 ptm -127.95 152.71 77.78 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.558 0.694 . . . . 0.0 110.898 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 150.05 67.69 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.311 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.3 t -70.15 96.37 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.5 mm -101.92 137.95 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.091 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 71.0 t -50.77 132.62 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.5 t -85.54 -63.32 1.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -146.03 159.42 43.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.8 t -131.97 125.96 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.409 ' HB3' HG21 ' A' ' 52' ' ' THR . . . -88.74 146.31 36.79 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.566 0.698 . . . . 0.0 111.133 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 163.95 36.39 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 50.03 39.77 34.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.409 HG21 ' HB3' ' A' ' 49' ' ' ALA . 33.1 p -113.52 153.73 45.69 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.567 0.699 . . . . 0.0 111.133 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 2.88 3.14 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.711 2.274 . . . . 0.0 112.345 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -107.24 -19.07 13.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.088 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -98.34 -52.64 3.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.3 mt -53.62 -34.0 56.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 14.4 p -64.61 166.2 8.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.674 HG23 ' HA ' ' A' ' 59' ' ' PRO . 4.5 p -134.97 137.57 27.49 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.578 0.704 . . . . 0.0 111.154 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.674 ' HA ' HG23 ' A' ' 58' ' ' VAL . 53.3 Cg_endo -69.77 133.16 24.6 Favored 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.342 0.003 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.401 ' N ' ' HA ' ' A' ' 58' ' ' VAL . 3.6 ttm105 -52.48 131.56 33.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.557 HD12 ' OD2' ' A' ' 65' ' ' ASP . 30.7 tp -79.29 89.37 4.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -94.75 150.94 19.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.1 mp0 -46.35 145.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 65' ' ' ASP . . . 109.29 -43.84 1.63 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.557 ' OD2' HD12 ' A' ' 61' ' ' LEU . 74.7 m-20 -38.09 122.15 1.01 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.774 0.321 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -89.79 109.26 20.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.4 t -77.9 110.75 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.595 HG12 ' HG ' ' A' ' 69' ' ' LEU . 92.6 t -88.81 -45.46 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.595 ' HG ' HG12 ' A' ' 68' ' ' VAL . 86.8 mt -148.17 149.57 32.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.69 HG23 HD23 ' A' ' 100' ' ' LEU . 70.1 mt -121.09 121.77 65.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m120 53.5 41.82 32.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.73 34.74 61.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.576 ' O ' HG23 ' A' ' 75' ' ' ILE . 8.6 mmm180 -129.05 119.84 24.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.329 . . . . 0.0 110.869 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.456 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 3.6 m-20 -47.07 119.35 2.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.576 HG23 ' O ' ' A' ' 73' ' ' ARG . 2.7 pp -115.37 -32.61 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.565 ' N ' HD12 ' A' ' 75' ' ' ILE . . . -45.92 -46.87 16.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -62.49 -30.63 71.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.522 ' CG ' ' HG2' ' A' ' 82' ' ' GLN . 5.1 m-70 -73.95 164.43 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' HIS . 14.0 p -102.8 152.16 21.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.171 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' THR . 4.2 t-80 -37.33 -64.11 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -38.36 -38.74 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.522 ' HG2' ' CG ' ' A' ' 78' ' ' HIS . 26.7 tp60 -80.09 -57.78 3.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.3 t -41.21 -41.75 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.46 HG12 ' HE2' ' A' ' 88' ' ' LYS . 98.5 t -58.97 -57.83 9.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 86' ' ' PHE . 4.0 mp -60.68 -50.1 74.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 85' ' ' LEU . 22.1 t80 -37.89 -46.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 35.4 mt -68.0 -52.05 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.46 ' HE2' HG12 ' A' ' 84' ' ' VAL . 45.2 mtmt -51.93 -40.36 60.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.804 . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.911 0.386 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.585 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 8.3 tp -114.94 131.34 56.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 9.7 mtt -119.22 134.11 55.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.69 HD23 HG23 ' A' ' 70' ' ' ILE . 6.6 mt -132.76 131.56 41.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.1 tp -98.77 104.35 16.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 17.3 m -108.52 158.12 8.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -95.03 134.21 25.09 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.617 0.722 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.722 2.282 . . . . 0.0 112.343 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.4 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.873 0.368 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.3 t -85.25 139.87 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.2 tp -121.57 129.02 52.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.424 HD13 ' HG2' ' A' ' 59' ' ' PRO . 25.7 mm -92.82 119.87 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -117.87 132.37 56.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.37 159.14 16.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -112.96 144.47 31.14 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.701 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 125.01 11.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.738 2.292 . . . . 0.0 112.331 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' GLU . 1.2 p30 -58.02 179.53 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 25' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' ASP . 33.9 mp0 -34.53 -61.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -76.68 -27.34 55.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.34 42.27 8.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -105.38 84.82 2.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.47 ' CZ ' HD23 ' A' ' 98' ' ' LEU . 13.7 m-85 -53.33 125.06 16.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.527 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -82.5 71.0 3.06 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.472 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.496 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 1.8 p90 -160.77 125.53 3.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -108.67 150.2 27.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.9 m -121.49 161.54 21.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -148.0 150.83 34.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.46 -156.13 18.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.75 160.26 10.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -44.79 -32.24 1.48 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.873 0.368 . . . . 0.0 110.927 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -57.35 -43.33 83.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' MET . 51.5 mm-40 -101.56 29.22 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' GLN . 0.2 OUTLIER 37.72 31.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 39' ' ' GLN . 9.5 ptm -132.15 153.54 81.35 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.574 0.702 . . . . 0.0 110.879 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.42 ' HG2' ' CD1' ' A' ' 44' ' ' ILE . 53.1 Cg_endo -69.8 152.29 69.04 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.669 2.246 . . . . 0.0 112.283 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.0 t -85.55 103.59 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.42 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 4.2 mp -118.23 139.65 44.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.5 t -50.33 111.66 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 t -61.46 -63.25 1.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -146.1 167.51 23.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 30' ' ' GLY . 42.7 t -140.79 131.0 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.52 145.77 34.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.568 0.699 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 160.91 47.97 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.262 . . . . 0.0 112.332 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.73 34.31 70.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.527 HG21 ' HA3' ' A' ' 30' ' ' GLY . 75.4 p -111.61 151.82 43.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.548 0.69 . . . . 0.0 111.151 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 1.66 4.21 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.317 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.34 -19.85 13.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.059 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -99.09 -45.03 6.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mt -59.31 -30.65 68.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.3 p -71.18 136.32 48.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.677 HG23 ' HA ' ' A' ' 59' ' ' PRO . 4.2 p -97.21 137.66 21.21 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.628 0.728 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.677 ' HA ' HG23 ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.7 138.22 47.78 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.371 -0.083 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -55.34 115.47 2.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.3 tp -64.64 100.42 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.415 ' O ' ' CG ' ' A' ' 65' ' ' ASP . 38.4 p30 -111.16 148.77 32.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -40.07 142.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.68 -43.35 1.71 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -47.39 100.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.714 0.292 . . . . 0.0 110.851 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -76.04 140.55 41.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.8 t -92.67 134.29 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.7 t -110.63 -39.78 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.416 ' CD2' ' HA ' ' A' ' 74' ' ' ASP . 95.3 mt -152.59 148.04 26.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.876 HD12 HG21 ' A' ' 75' ' ' ILE . 70.8 mt -113.85 117.1 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 52.58 34.09 14.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.05 42.63 58.71 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.8 ttt-85 -136.98 139.33 41.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.416 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 8.0 t70 -74.22 102.18 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.876 HG21 HD12 ' A' ' 70' ' ' ILE . 2.2 pp -105.6 15.48 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.99 -40.64 31.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -66.93 -31.25 71.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -71.61 164.16 26.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 67.5 p -102.93 159.66 15.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.493 ' O ' HG23 ' A' ' 84' ' ' VAL . 79.6 t60 -44.05 -58.98 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.765 ' O ' HD13 ' A' ' 85' ' ' LEU . 13.7 m-20 -40.03 -35.01 0.33 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -84.94 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.3 t -38.81 -39.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 80' ' ' HIS . 96.0 t -61.37 -49.42 84.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.765 HD13 ' O ' ' A' ' 81' ' ' ASP . 10.9 mp -64.94 -48.01 75.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.409 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 2.5 t80 -40.06 -64.68 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 23.4 mt -53.31 -47.17 57.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -55.21 -38.07 67.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 86' ' ' PHE . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.944 0.402 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.47 HD23 ' CZ ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -75.26 108.13 7.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.7 mtt -116.26 141.31 48.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.3 mt -138.91 132.89 31.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.0 tp -95.72 100.23 11.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.2 m -103.42 153.08 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -101.7 133.41 20.8 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.543 0.687 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.138 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.869 0.366 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.465 HG13 ' HG3' ' A' ' 59' ' ' PRO . 70.9 t -85.2 117.36 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 tp -97.52 121.17 39.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.9 mm -88.57 138.04 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 20' ' ' ARG . 24.1 mtm105 -137.5 122.92 19.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.11 172.93 16.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -122.94 152.71 63.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.523 0.677 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 124.02 10.68 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -47.97 170.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -50.53 -42.25 54.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -84.47 20.31 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 44.04 57.44 4.81 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -147.51 128.53 14.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.819 0.342 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.437 ' CE1' HD22 ' A' ' 98' ' ' LEU . 97.6 m-85 -81.55 -176.98 6.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -142.41 74.55 0.34 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -162.8 127.79 3.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.379 . . . . 0.0 110.929 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 46' ' ' SER . 7.9 m120 -96.63 133.91 40.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.4 m -115.91 163.96 12.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -143.48 149.77 38.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.42 178.14 31.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.532 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 152.22 166.44 14.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -45.72 -33.56 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.948 0.404 . . . . 0.0 110.963 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.48 -45.11 73.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.841 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 40' ' ' LYS . 10.3 mm-40 -104.43 27.98 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' GLN . 0.6 OUTLIER 35.37 43.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.0 ptm -134.98 152.72 77.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.543 0.687 . . . . 0.0 110.886 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.58 ' HG2' HD11 ' A' ' 44' ' ' ILE . 53.6 Cg_endo -69.75 152.3 69.33 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.229 . . . . 0.0 112.311 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.438 ' C ' HD12 ' A' ' 44' ' ' ILE . 25.1 t -85.23 112.12 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.14 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.58 HD11 ' HG2' ' A' ' 42' ' ' PRO . 3.9 mp -122.04 136.74 57.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.694 HG23 ' OD1' ' A' ' 65' ' ' ASP . 18.6 t -57.9 110.78 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 32' ' ' ASN . 5.9 t -63.86 -69.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -130.15 158.5 39.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.72 118.1 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.15 145.94 53.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.589 0.709 . . . . 0.0 111.076 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 161.03 47.51 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.269 . . . . 0.0 112.346 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.04 38.73 96.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.508 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.4 p -122.06 152.4 59.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.59 0.709 . . . . 0.0 111.13 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.95 3.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -100.67 -18.42 16.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.45 ' OD1' ' CG ' ' A' ' 60' ' ' ARG . 3.9 t70 -101.08 -63.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.5 mt -45.38 -32.73 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.9 p -60.78 162.23 7.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.439 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 85.2 t -124.86 124.39 25.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.655 0.74 . . . . 0.0 111.103 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.465 ' HG3' HG13 ' A' ' 17' ' ' VAL . 53.5 Cg_endo -69.79 168.01 69.11 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.357 -0.05 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.45 ' CG ' ' OD1' ' A' ' 55' ' ' ASP . 20.0 ttp180 -86.73 120.43 28.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.43 HD21 HG21 ' A' ' 45' ' ' VAL . 11.0 tp -64.19 112.62 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.402 ' CB ' HH21 ' A' ' 60' ' ' ARG . 4.6 p30 -117.51 167.61 11.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -61.15 133.28 55.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.49 -32.12 4.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.694 ' OD1' HG23 ' A' ' 45' ' ' VAL . 2.6 p30 -50.72 129.8 23.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.767 0.318 . . . . 0.0 110.832 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -107.64 104.39 13.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.2 t -68.58 128.71 32.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.5 t -112.68 -45.91 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.7 mt -139.64 131.12 27.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.833 HD12 HG21 ' A' ' 75' ' ' ILE . 92.1 mt -103.1 106.36 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.3 m120 58.71 32.67 22.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 76.28 44.02 18.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -138.31 134.26 34.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.853 0.358 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -72.1 92.07 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.833 HG21 HD12 ' A' ' 70' ' ' ILE . 2.3 pp -93.72 4.68 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.75 -45.98 63.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -63.83 -30.99 72.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -70.94 143.29 50.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.817 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.401 ' O ' HG23 ' A' ' 83' ' ' VAL . 43.1 p -75.97 170.77 15.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -51.87 -54.56 27.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -52.8 -46.87 67.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 83' ' ' VAL . 11.5 mm100 -59.85 -61.84 2.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 82' ' ' GLN . 69.9 t -36.65 -65.66 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' VAL . 95.8 t -36.19 -56.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.26 -47.42 84.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -42.13 -47.46 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 21.2 mt -56.81 -51.6 65.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -45.71 -42.76 12.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.801 . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.864 0.364 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.449 HD21 HD21 ' A' ' 100' ' ' LEU . 2.5 tp -93.63 146.62 23.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 6.3 mtt -136.6 107.91 6.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.449 HD21 HD21 ' A' ' 98' ' ' LEU . 5.5 mt -112.96 113.81 26.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 23.9 tp -83.12 101.64 11.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 33.2 m -106.77 157.28 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 57.1 ttt-85 -99.71 129.58 28.47 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.61 0.719 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.393 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.892 0.377 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.5 t -99.34 145.69 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 100' ' ' LEU . 4.5 tp -125.99 131.58 52.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.3 mm -99.15 109.89 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -102.79 122.54 44.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -155.64 175.77 13.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -130.6 151.38 78.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.589 0.709 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 161.78 44.61 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -87.2 -177.61 6.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -62.75 -8.13 6.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -120.05 23.4 11.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.66 49.01 22.55 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -130.34 155.6 46.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.379 . . . . 0.0 110.828 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.526 ' CE2' HD22 ' A' ' 98' ' ' LEU . 96.6 m-85 -114.74 179.17 4.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -123.38 58.63 0.62 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -166.31 133.3 2.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -104.28 167.7 9.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.9 m -141.51 157.06 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -147.06 158.29 43.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.99 -151.89 19.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.61 169.58 15.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -43.76 -27.66 0.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -54.52 -44.39 72.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 41' ' ' MET . 40.1 mm-40 -114.39 28.33 8.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' GLN . 31.8 mttt 37.86 31.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 39' ' ' GLN . 15.4 ptm -117.8 152.17 49.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.576 0.703 . . . . 0.0 110.89 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 147.64 63.61 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.694 2.263 . . . . 0.0 112.354 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.466 HG21 HD13 ' A' ' 75' ' ' ILE . 58.2 t -72.34 101.53 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.8 mm -110.26 138.05 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.1 t -50.23 134.31 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.7 t -88.87 -60.49 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 15.2 tpp180 -146.18 152.61 39.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.441 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 25.0 t -138.36 125.19 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.169 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.87 152.57 39.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.576 0.703 . . . . 0.0 111.156 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.401 ' O ' HG23 ' A' ' 52' ' ' THR . 53.5 Cg_endo -69.74 173.38 11.04 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.303 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 45.91 42.31 11.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.443 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 50' ' ' PRO . 16.6 p -117.48 154.95 50.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.539 0.685 . . . . 0.0 111.147 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -0.62 7.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.626 2.217 . . . . 0.0 112.371 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -107.32 -27.12 10.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -91.19 -53.0 4.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 mt -52.36 -38.26 58.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 16.4 p -62.08 158.6 16.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.575 HG13 ' HA ' ' A' ' 59' ' ' PRO . 94.9 t -120.31 135.33 24.41 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.586 0.707 . . . . 0.0 111.183 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.575 ' HA ' HG13 ' A' ' 58' ' ' VAL . 53.4 Cg_endo -69.79 143.52 74.15 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.308 0.001 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -59.07 121.85 12.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 29.0 tp -72.18 104.77 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -115.04 166.59 11.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -56.43 148.62 18.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.24 -41.54 2.12 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.445 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -42.75 117.24 1.0 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.75 0.31 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -91.79 108.2 19.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.3 105.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.089 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.3 t -76.74 -46.6 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' A' ' 74' ' ' ASP . 78.2 mt -153.48 139.29 18.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.732 HD12 HG21 ' A' ' 75' ' ' ILE . 50.0 mt -107.79 123.51 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.149 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 53.56 33.1 15.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.58 33.56 87.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.514 ' O ' HG23 ' A' ' 75' ' ' ILE . 47.3 mtp180 -130.55 132.92 45.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.917 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.458 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 9.6 p-10 -57.4 115.12 2.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.732 HG21 HD12 ' A' ' 70' ' ' ILE . 2.5 pp -117.1 -14.86 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.16 -12.09 61.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -102.94 -5.18 23.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -99.39 163.25 12.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.7 p -82.22 159.36 23.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -43.76 -60.36 1.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -47.62 -53.27 15.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -49.84 -44.37 49.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.23 -46.94 91.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 89.9 t -60.43 -43.69 94.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.63 -36.56 78.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.488 ' CE1' ' HD3' ' A' ' 73' ' ' ARG . 86.3 t80 -60.45 -58.28 9.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 71.0 mt -48.7 -36.03 7.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -67.17 -41.3 86.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.868 . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.526 HD22 ' CE2' ' A' ' 29' ' ' PHE . 14.0 tp -86.21 132.51 33.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 4.0 mtt -116.71 108.88 16.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.471 ' O ' HD12 ' A' ' 18' ' ' LEU . 8.5 mt -115.75 141.27 48.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.9 tp -113.54 101.49 9.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.9 m -106.6 156.29 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -91.07 135.38 28.57 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.639 0.733 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.477 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.3 t -87.42 140.75 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 tp -114.18 134.28 55.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.1 mm -106.81 113.61 43.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.3 mtm105 -111.48 126.05 54.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.84 173.15 17.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 22' ' ' LYS . . . . . 0.419 ' C ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -119.83 152.54 53.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.64 0.733 . . . . 0.0 110.881 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 135.07 29.45 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -51.98 175.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -52.25 -46.11 65.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -78.87 -28.17 44.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.09 52.95 0.91 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 mtp-105 -144.52 141.01 29.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.798 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -90.88 -177.14 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.597 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -135.25 67.61 0.55 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.515 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -158.39 130.15 6.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -101.02 151.16 22.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.7 m -131.59 154.23 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.196 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.0 pttt -137.48 140.69 41.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.401 ' HA2' ' CG ' ' A' ' 41' ' ' MET . . . 118.7 -172.1 14.39 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.506 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.76 166.25 10.62 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.527 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -48.93 -31.58 7.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.875 0.369 . . . . 0.0 110.905 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -62.52 -44.37 96.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' LYS . 13.9 mt-30 -97.59 18.56 15.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' GLN . 4.8 mmmm 36.01 36.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.401 ' CG ' ' HA2' ' A' ' 35' ' ' GLY . 12.9 ptm -128.33 153.07 78.96 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.592 0.71 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 156.86 62.3 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.735 2.29 . . . . 0.0 112.382 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.71 115.74 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.1 mp -134.07 134.67 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.17 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.9 t -51.58 128.42 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.3 t -88.57 -52.12 5.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -144.61 157.74 44.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.455 HG21 ' HA ' ' A' ' 62' ' ' ASN . 61.8 t -137.96 113.37 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.59 148.32 61.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.521 0.677 . . . . 0.0 111.113 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 176.19 7.14 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 55.01 32.44 56.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.597 HG21 ' HA3' ' A' ' 30' ' ' GLY . 31.6 p -121.22 153.89 58.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.593 0.711 . . . . 0.0 111.16 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -0.81 7.49 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.267 . . . . 0.0 112.314 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -96.12 -22.08 17.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.422 ' CG ' ' HG3' ' A' ' 60' ' ' ARG . 2.6 t70 -96.75 -64.95 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.4 mt -44.43 -42.01 6.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 13.7 p -53.71 153.85 4.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.476 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 97.8 t -115.94 124.71 29.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.609 0.719 . . . . 0.0 111.099 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.476 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.73 172.27 49.67 Favored 'Cis proline' 0 C--O 1.231 0.141 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.299 -0.076 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.422 ' HG3' ' CG ' ' A' ' 55' ' ' ASP . 19.6 ttp180 -89.08 114.37 25.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.5 tp -60.03 127.37 31.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.455 ' HA ' HG21 ' A' ' 48' ' ' VAL . 5.2 p30 -141.3 169.22 18.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 12.3 mp0 -56.15 147.2 21.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 66' ' ' GLN . . . 103.96 -43.76 1.61 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -51.27 91.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.742 0.306 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 64' ' ' GLY . 36.8 tt0 -66.18 129.64 40.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.5 t -85.19 107.84 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.549 HG12 ' HG ' ' A' ' 69' ' ' LEU . 57.0 t -85.65 -40.48 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.549 ' HG ' HG12 ' A' ' 68' ' ' VAL . 63.2 mt -153.96 137.56 16.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.7 mt -104.73 116.55 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 62.87 29.18 16.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.01 30.23 68.05 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.8 mtt85 -129.69 150.67 50.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -77.46 126.94 31.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.4 pp -129.99 -5.76 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.41 -44.22 72.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -60.67 -28.51 68.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -71.33 152.51 43.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.5 p -93.79 167.25 11.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.789 ' O ' HG23 ' A' ' 84' ' ' VAL . 11.7 t60 -42.49 -55.24 3.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -52.22 -52.88 49.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 85' ' ' LEU . 34.2 mt-30 -58.33 -67.88 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.699 ' O ' HD12 ' A' ' 87' ' ' ILE . 24.1 t -35.94 -46.86 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 80' ' ' HIS . 85.6 t -57.32 -45.87 85.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 82' ' ' GLN . 12.9 mt -69.75 -27.1 64.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -57.04 -57.94 10.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.708 ' H ' HD12 ' A' ' 87' ' ' ILE . 5.0 mp -64.39 -49.41 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt -46.54 -44.18 17.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.785 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.859 0.361 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.742 HD21 ' CD2' ' A' ' 100' ' ' LEU . 1.4 tt -98.47 154.62 17.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.648 ' N ' HD23 ' A' ' 98' ' ' LEU . 3.8 mtp -129.19 149.1 51.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.742 ' CD2' HD21 ' A' ' 98' ' ' LEU . 22.6 mt -132.94 120.91 22.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.6 tp -91.75 99.93 12.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.8 m -106.12 171.79 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.451 ' CD ' ' HD2' ' A' ' 104' ' ' PRO . 0.5 OUTLIER -108.25 137.43 19.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.619 0.723 . . . . 0.0 110.866 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.451 ' HD2' ' CD ' ' A' ' 103' ' ' ARG . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.369 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.842 0.353 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 81.5 t -95.97 128.99 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.859 HD21 ' HE ' ' A' ' 20' ' ' ARG . 17.3 tp -107.13 138.68 42.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.423 HD13 ' HG2' ' A' ' 59' ' ' PRO . 15.9 mm -109.5 116.29 51.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.859 ' HE ' HD21 ' A' ' 18' ' ' LEU . 40.0 mtt180 -120.25 115.6 23.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.89 171.35 14.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm -122.77 152.91 63.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.71 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 122.51 9.2 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.727 2.285 . . . . 0.0 112.362 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -55.85 -177.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -55.92 -37.25 68.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 27' ' ' GLY . 3.9 m-20 -85.46 27.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 27' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 26' ' ' ASN . . . 34.79 51.0 0.79 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.482 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.1 144.93 26.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.898 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -96.62 164.56 12.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -110.66 68.72 0.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.459 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 9.0 p90 -166.1 121.86 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -101.18 158.73 15.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' VAL . . . . . 0.438 ' HB ' ' CG1' ' A' ' 43' ' ' VAL . 32.2 m -127.25 168.08 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' NZ ' ' O ' ' A' ' 45' ' ' VAL . 22.4 pttm -145.39 148.76 33.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.04 -152.48 19.0 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.478 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.28 161.82 11.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.513 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -45.63 -26.23 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.916 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -62.21 -40.27 95.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' LYS . 6.8 mt-30 -106.49 28.0 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 40' ' ' LYS . 2.1 mptt 36.43 42.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 17.7 ptm -138.08 152.75 72.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.538 0.685 . . . . 0.0 110.885 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.653 ' HG2' HD11 ' A' ' 44' ' ' ILE . 53.2 Cg_endo -69.81 154.32 67.68 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.744 2.296 . . . . 0.0 112.329 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.438 ' CG1' ' HB ' ' A' ' 33' ' ' VAL . 21.2 t -84.9 113.32 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.653 HD11 ' HG2' ' A' ' 42' ' ' PRO . 5.4 mp -125.95 144.05 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.403 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . 97.5 t -54.53 141.89 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.5 p -103.88 -53.81 2.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -141.66 153.86 44.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.456 HG21 ' HA ' ' A' ' 62' ' ' ASN . 61.7 t -139.75 106.9 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.45 147.91 76.27 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.608 0.718 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 171.54 14.31 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.34 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 54.94 33.69 57.06 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.8 p -118.98 153.73 52.87 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.572 0.701 . . . . 0.0 111.143 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 2.85 3.14 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -100.4 -19.02 16.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 55' ' ' ASP . . . . . 0.443 ' OD1' ' CG ' ' A' ' 60' ' ' ARG . 3.6 t70 -102.13 -63.15 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.4 mt -46.36 -31.44 2.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.6 p -58.96 162.15 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.45 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 24.2 t -123.47 121.57 26.79 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.738 . . . . 0.0 111.123 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.72 174.56 39.95 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.332 -0.057 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ARG . . . . . 0.443 ' CG ' ' OD1' ' A' ' 55' ' ' ASP . 20.5 ttp180 -90.39 120.82 31.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.506 HD23 ' CB ' ' A' ' 31' ' ' PHE . 15.6 tp -69.19 127.14 32.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.529 ' CG ' ' N ' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -141.36 169.73 17.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.529 ' N ' ' CG ' ' A' ' 62' ' ' ASN . 27.9 mt-10 -58.56 152.8 17.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.53 -41.48 2.23 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -52.85 114.62 1.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.743 0.306 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -90.04 126.81 35.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.9 t -84.62 122.35 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.596 HG12 ' HG ' ' A' ' 69' ' ' LEU . 40.7 t -90.52 -52.07 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.596 ' HG ' HG12 ' A' ' 68' ' ' VAL . 9.8 mt -142.15 157.36 44.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.852 HD12 HG21 ' A' ' 75' ' ' ILE . 74.8 mt -127.73 123.58 61.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 m120 59.93 27.1 16.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.89 -15.58 36.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.455 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 52.3 mtt85 -91.99 144.18 25.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -73.82 122.3 22.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.852 HG21 HD12 ' A' ' 70' ' ' ILE . 2.5 pp -104.54 -31.86 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.558 ' N ' HD12 ' A' ' 75' ' ' ILE . . . -48.07 -27.93 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -76.51 -31.39 57.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.412 ' HB3' ' CB ' ' A' ' 82' ' ' GLN . 9.9 m80 -80.28 147.87 30.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.7 p -75.88 161.69 28.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -40.19 -57.3 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -46.01 -48.41 16.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.412 ' CB ' ' HB3' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -65.26 -55.02 20.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.5 t -50.08 -61.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.5 t -44.53 -59.54 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.1 mt -57.5 -35.38 70.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -57.2 -46.31 82.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.1 mt -58.78 -59.16 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 89' ' ' ALA . 54.2 mttm -51.54 -52.79 44.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 88' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.061 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.88 0.371 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.75 111.64 20.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.682 ' HG3' HD11 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -111.77 140.61 46.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.866 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.43 ' HG ' ' C ' ' A' ' 99' ' ' MET . 4.8 mt -147.52 115.63 6.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.5 tp -90.49 104.97 17.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.0 m -107.53 149.76 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -91.36 134.9 28.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.389 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.625 HD21 ' HG3' ' A' ' 103' ' ' ARG . 15.9 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.933 0.397 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.6 p -83.29 156.24 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.0 tp -125.1 123.55 39.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.9 mm -91.79 103.65 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -105.14 119.59 39.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.1 ptp -143.78 176.53 9.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -129.03 145.68 57.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 155.69 65.47 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.262 . . . . 0.0 112.367 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 28' ' ' ARG . 0.4 OUTLIER -87.42 179.68 6.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -43.94 -61.83 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -66.43 -26.28 67.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.89 1.19 55.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' ARG . . . . . 0.448 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 9.5 ptm180 -82.87 140.47 32.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -97.85 170.91 8.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.596 ' O ' HG13 ' A' ' 48' ' ' VAL . . . -116.38 64.19 0.34 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.477 ' CZ ' HD13 ' A' ' 87' ' ' ILE . 4.1 p90 -166.11 134.69 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.357 . . . . 0.0 110.839 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -111.64 159.19 18.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.68 161.77 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.7 pttt -141.04 141.12 34.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.73 174.01 17.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 162.69 -170.48 38.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 2.7 t80 -73.87 -20.35 60.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.902 0.382 . . . . 0.0 110.923 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 38' ' ' ASP . . . . . 0.417 ' C ' ' OD1' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -74.3 -33.44 63.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 40' ' ' LYS . 22.9 mm-40 -108.15 16.99 22.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' GLN . 9.1 mptt 35.22 50.36 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.9 ptm -138.86 152.66 70.85 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.552 0.691 . . . . 0.0 110.885 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.568 ' O ' HD12 ' A' ' 44' ' ' ILE . 52.8 Cg_endo -69.81 149.77 66.99 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.65 2.234 . . . . 0.0 112.286 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.513 ' C ' HD12 ' A' ' 44' ' ' ILE . 40.8 t -84.33 116.71 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.568 HD12 ' O ' ' A' ' 42' ' ' PRO . 4.0 mp -128.5 146.81 33.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.534 HG21 ' HG ' ' A' ' 61' ' ' LEU . 77.2 t -59.52 129.17 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 t -90.98 -60.94 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -140.41 152.26 45.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 30' ' ' GLY . 20.9 t -138.68 113.86 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.67 150.06 72.23 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 111.097 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 174.59 9.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.712 2.275 . . . . 0.0 112.364 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 49.26 46.14 35.02 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.486 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.47 HG21 ' HA3' ' A' ' 30' ' ' GLY . 18.7 p -130.77 154.59 81.88 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.565 0.698 . . . . 0.0 111.168 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.51 3.44 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.722 2.281 . . . . 0.0 112.36 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 54' ' ' ALA . . . . . 0.454 ' HA ' ' HG ' ' A' ' 57' ' ' CYS . . . -109.99 -8.25 14.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -112.28 -22.95 10.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.4 mt -89.31 -35.89 15.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' CYS . . . . . 0.454 ' HG ' ' HA ' ' A' ' 54' ' ' ALA . 2.8 p -55.08 152.34 7.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.438 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 42.5 t -127.06 122.64 23.23 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.592 0.711 . . . . 0.0 111.169 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.438 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.74 148.07 85.93 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.363 -0.096 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.2 ptt-85 -83.38 169.04 16.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.534 ' HG ' HG21 ' A' ' 45' ' ' VAL . 13.9 tp -103.15 129.08 49.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.45 156.2 48.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.28 125.48 16.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 44' ' ' ILE . . . 121.34 -42.76 1.63 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.432 ' HB3' HG11 ' A' ' 102' ' ' VAL . 95.2 m-20 -51.49 99.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.714 0.292 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -73.1 125.66 28.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.1 t -78.86 111.24 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.507 HG12 ' HG ' ' A' ' 69' ' ' LEU . 93.7 t -89.1 -37.43 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.507 ' HG ' HG12 ' A' ' 68' ' ' VAL . 88.9 mt -149.4 137.77 20.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.448 HG22 ' ND2' ' A' ' 71' ' ' ASN . 15.7 mt -109.42 95.56 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.448 ' ND2' HG22 ' A' ' 70' ' ' ILE . 0.8 OUTLIER 73.18 40.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.03 -37.17 2.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -80.19 141.19 35.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 74' ' ' ASP . . . . . 0.477 ' HA ' HD23 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -85.93 141.61 29.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.8 pp -123.94 11.02 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.17 -12.94 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.064 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.3 mp0 -99.25 -23.34 15.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -71.5 146.81 48.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 80' ' ' HIS . 13.3 p -84.37 150.36 25.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' THR . 22.1 t60 -35.07 -63.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 0.3 OUTLIER -42.48 -64.18 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -49.18 -62.07 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.5 t -39.48 -50.46 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 80' ' ' HIS . 79.5 t -50.45 -50.31 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.41 -32.56 71.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -51.42 -39.33 57.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.477 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 14.3 mt -69.66 -46.0 76.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.45 -33.14 69.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.847 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.862 0.363 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 99' ' ' MET . 1.2 tt -119.59 146.09 45.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.429 ' N ' HD23 ' A' ' 98' ' ' LEU . 2.8 mtt -129.18 121.9 28.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.5 mt -108.18 116.35 31.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.5 tp -85.33 103.11 13.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.432 HG11 ' HB3' ' A' ' 65' ' ' ASP . 18.8 m -112.07 171.92 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.625 ' HG3' HD21 ' A' ' 16' ' ' LEU . 13.3 ttm180 -111.85 124.67 31.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.581 0.705 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.258 . . . . 0.0 112.307 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.847 0.356 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 87.2 t -98.85 121.67 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.6 tp -101.59 129.54 47.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.427 HD13 ' HG2' ' A' ' 59' ' ' PRO . 7.5 mm -100.29 123.63 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 20' ' ' ARG . 13.5 mtp-105 -126.15 131.06 52.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.39 176.27 12.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -122.16 151.72 59.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.561 0.695 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 147.09 61.88 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -72.18 -177.59 2.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -58.01 -35.66 71.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -93.95 24.85 3.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 45.3 56.64 6.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -149.67 149.93 31.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.84 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -104.28 -176.02 2.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.721 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -129.31 65.29 0.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 6.7 p90 -158.03 127.86 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -104.83 140.89 37.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.2 155.69 17.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.7 pttt -143.67 143.71 31.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 35' ' ' GLY . . . . . 0.439 ' HA2' ' CG ' ' A' ' 41' ' ' MET . . . 105.98 158.94 22.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.473 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.93 -174.52 40.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.487 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -60.16 -31.81 70.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.883 0.373 . . . . 0.0 110.943 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -55.75 -41.93 74.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' LYS . 11.3 mm-40 -109.92 27.34 9.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' GLN . 3.5 mtpm? 37.47 36.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.439 ' CG ' ' HA2' ' A' ' 35' ' ' GLY . 9.0 ptm -128.65 154.17 79.66 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.58 0.705 . . . . 0.0 110.899 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 157.2 61.05 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.364 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 35' ' ' GLY . 42.9 t -91.19 116.18 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.79 136.34 54.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.503 HG21 ' OD2' ' A' ' 65' ' ' ASP . 73.2 t -51.48 114.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 p -68.68 -62.39 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' ARG . . . . . 0.472 ' HD2' ' N ' ' A' ' 48' ' ' VAL . 3.5 tmm_? -146.09 148.4 32.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' ' 30' ' ' GLY . 74.2 t -123.62 119.98 58.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.78 143.55 71.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.528 0.68 . . . . 0.0 111.135 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 173.42 11.03 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 51.65 45.86 54.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.721 HG21 ' HA3' ' A' ' 30' ' ' GLY . 10.4 p -131.66 155.69 81.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.577 0.703 . . . . 0.0 111.127 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -6.58 18.98 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.654 2.236 . . . . 0.0 112.33 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.66 -19.47 21.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -99.62 -63.03 1.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mt -46.73 -20.53 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.9 p -68.37 167.89 13.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.497 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 1.4 p -132.72 128.9 21.07 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.64 0.733 . . . . 0.0 111.113 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 54.3 Cg_endo -69.71 135.47 33.9 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.705 -1.789 . . . . 0.0 112.338 -0.066 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -55.87 118.11 4.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' LEU . . . . . 0.517 HD11 ' OD2' ' A' ' 65' ' ' ASP . 7.9 tp -67.04 108.98 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -111.0 127.4 55.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.891 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 63' ' ' GLU . . . . . 0.477 ' HA ' ' CG1' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -34.14 149.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.84 -12.45 57.75 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' ASP . . . . . 0.517 ' OD2' HD11 ' A' ' 61' ' ' LEU . 3.0 p-10 -77.21 126.83 31.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.783 0.325 . . . . 0.0 110.813 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -88.3 124.65 34.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.7 t -84.48 104.89 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.453 HG12 ' HG ' ' A' ' 69' ' ' LEU . 50.7 t -72.13 -47.88 52.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.453 ' HG ' HG12 ' A' ' 68' ' ' VAL . 19.0 mt -149.02 143.75 26.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.774 HG22 ' ND2' ' A' ' 71' ' ' ASN . 63.2 mt -98.06 104.51 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ASN . . . . . 0.774 ' ND2' HG22 ' A' ' 70' ' ' ILE . 20.7 p30 47.14 38.94 7.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.5 44.95 10.16 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.453 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.6 mmp_? -137.39 121.91 18.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -67.15 113.31 5.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.442 HD12 ' C ' ' A' ' 75' ' ' ILE . 2.9 pp -131.24 13.23 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.01 75.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -93.81 27.95 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 82' ' ' GLN . 4.6 t-160 -108.66 148.76 29.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 83' ' ' VAL . 82.1 p -63.43 165.0 8.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.152 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -70.03 -56.65 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.834 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -42.44 -45.15 4.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.552 ' HB3' ' CE1' ' A' ' 78' ' ' HIS . 10.2 mm100 -64.14 -65.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 79' ' ' THR . 55.4 t -36.55 -58.58 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 87.7 t -47.31 -43.24 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.1 mt -71.84 -35.94 70.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -48.19 -53.13 17.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.443 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 38.8 mt -53.88 -54.96 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -46.33 -56.88 5.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.823 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.891 0.376 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.676 HD11 HD21 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -122.08 129.9 52.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.541 ' N ' HD13 ' A' ' 98' ' ' LEU . 6.0 mtp -133.23 117.2 17.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.676 HD21 HD11 ' A' ' 98' ' ' LEU . 5.5 mt -117.72 128.27 54.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.6 tp -91.39 106.51 18.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 17.9 m -111.36 155.1 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -97.03 136.02 21.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.54 0.686 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.34 0.122 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LEU . . . . . 0.413 ' HB3' HD11 ' A' ' 101' ' ' LEU . 3.9 mm? . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.879 0.371 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.59 HG23 ' HG3' ' A' ' 104' ' ' PRO . 85.1 t -102.29 148.32 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 tp -127.95 137.03 52.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.546 HD13 ' HG2' ' A' ' 59' ' ' PRO . 6.8 mm -102.48 115.52 44.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -114.87 131.39 56.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.13 149.98 9.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -87.82 155.34 53.07 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.551 0.691 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 157.89 58.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.65 2.234 . . . . 0.0 112.32 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -79.31 173.17 12.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -46.37 -46.45 18.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' ASN . . . . . 0.426 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -82.25 -16.38 49.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.79 37.7 4.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.45 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -128.21 172.43 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.447 ' CE1' HG22 ' A' ' 87' ' ' ILE . 50.1 m-85 -120.08 176.74 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -117.01 64.69 0.35 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 31' ' ' PHE . 8.8 p90 -165.31 135.08 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -106.5 162.53 13.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.2 m -136.42 162.59 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -148.61 159.06 44.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.86 -168.59 24.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.502 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.45 164.28 9.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.51 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -47.29 -27.7 1.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.905 0.383 . . . . 0.0 110.918 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.33 -41.01 94.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -99.85 19.31 16.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp 42.93 30.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 10.9 ptm -127.24 151.5 74.66 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.562 0.696 . . . . 0.0 110.899 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.551 ' HG2' HD11 ' A' ' 44' ' ' ILE . 54.0 Cg_endo -69.74 162.28 42.65 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.483 ' C ' HD12 ' A' ' 44' ' ' ILE . 50.5 t -90.73 120.03 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.551 HD11 ' HG2' ' A' ' 42' ' ' PRO . 4.2 mp -137.98 142.13 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 45' ' ' VAL . . . . . 0.446 HG11 ' CG2' ' A' ' 48' ' ' VAL . 63.6 t -54.65 132.28 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.7 p -94.13 -59.42 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.5 tpt85 -135.84 148.07 48.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.446 ' CG2' HG11 ' A' ' 45' ' ' VAL . 58.4 t -138.2 110.41 6.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.3 148.08 66.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.597 0.713 . . . . 0.0 111.089 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.408 ' O ' HG23 ' A' ' 52' ' ' THR . 54.2 Cg_endo -69.72 -177.43 1.86 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.238 . . . . 0.0 112.385 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 44.17 46.7 8.19 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 50' ' ' PRO . 13.1 p -132.17 154.82 81.78 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.564 0.697 . . . . 0.0 111.153 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 2.2 3.79 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.706 2.271 . . . . 0.0 112.33 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -108.05 -24.96 11.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.075 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -93.41 -34.32 13.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.1 mt -81.67 -15.72 53.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.6 p -74.29 160.22 31.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.676 HG13 ' HA ' ' A' ' 59' ' ' PRO . 92.8 t -124.72 137.58 29.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.662 0.744 . . . . 0.0 111.113 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.676 ' HA ' HG13 ' A' ' 58' ' ' VAL . 53.1 Cg_endo -69.81 141.66 66.89 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.292 0.008 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -49.01 129.03 17.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.3 tp -89.08 100.55 13.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -108.15 163.35 13.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -54.04 145.49 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.4 ' C ' HG23 ' A' ' 44' ' ' ILE . . . 103.21 -27.72 18.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -56.95 89.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.348 . . . . 0.0 110.835 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -70.64 116.91 11.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.7 t -71.75 113.2 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.634 HG12 ' HG ' ' A' ' 69' ' ' LEU . 61.1 t -83.74 -55.56 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.634 ' HG ' HG12 ' A' ' 68' ' ' VAL . 65.7 mt -139.45 143.08 37.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.608 HG21 ' HB3' ' A' ' 86' ' ' PHE . 51.4 mt -111.68 123.97 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 51.73 36.71 18.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.05 37.57 95.16 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.44 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -135.43 156.89 48.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.815 0.34 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -72.64 127.43 32.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.835 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.771 HD12 ' N ' ' A' ' 76' ' ' ALA . 2.8 pp -121.4 -39.0 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.771 ' N ' HD12 ' A' ' 75' ' ' ILE . . . -51.81 -37.22 50.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -73.07 -19.87 61.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -89.25 166.07 14.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.799 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 27.1 p -84.63 173.59 10.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.445 ' O ' HG23 ' A' ' 84' ' ' VAL . 31.1 t60 -56.23 -49.89 72.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.66 -62.16 1.8 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.546 ' OE1' ' CE2' ' A' ' 86' ' ' PHE . 0.6 OUTLIER -42.24 -51.53 4.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.9 t -54.53 -46.64 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 80' ' ' HIS . 95.0 t -55.01 -26.26 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.9 mp -82.22 -44.19 16.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.608 ' HB3' HG21 ' A' ' 70' ' ' ILE . 2.9 m-85 -45.08 -29.9 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.447 HG22 ' CE1' ' A' ' 29' ' ' PHE . 10.2 mt -80.88 -54.23 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -54.27 -44.74 72.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.802 . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.56 HD11 HD21 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -129.54 132.15 46.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.542 ' N ' HD13 ' A' ' 98' ' ' LEU . 8.5 mtt -134.38 126.31 29.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.56 HD21 HD11 ' A' ' 98' ' ' LEU . 7.8 mt -131.69 119.29 21.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 16' ' ' LEU . 20.8 tp -91.67 101.5 14.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 33.8 m -101.46 158.95 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.464 ' HB2' ' CG2' ' A' ' 68' ' ' VAL . 17.8 ttp180 -107.43 107.38 60.31 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.608 0.718 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.59 ' HG3' HG23 ' A' ' 17' ' ' VAL . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.14 0 C-N-CA 122.677 2.252 . . . . 0.0 112.296 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.855 0.359 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.584 HG13 HG23 ' A' ' 102' ' ' VAL . 3.0 p -81.61 149.62 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 tp -125.72 136.84 53.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.62 HD13 ' HG2' ' A' ' 59' ' ' PRO . 8.8 mm -101.37 144.03 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -144.86 132.28 20.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -162.28 175.11 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -125.55 152.44 71.83 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 144.82 55.09 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.638 2.225 . . . . 0.0 112.317 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -70.46 -176.55 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -68.03 -11.49 59.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -116.78 10.38 14.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.23 58.3 13.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.518 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -145.81 123.43 11.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -84.1 178.43 7.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.564 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -131.31 71.08 0.51 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.479 ' CZ ' HD13 ' A' ' 87' ' ' ILE . 14.9 p90 -166.24 128.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.928 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -100.2 156.81 17.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.4 m -131.06 152.91 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -133.67 149.12 51.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.47 177.68 45.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.496 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.77 -154.39 20.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.514 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.479 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 2.8 t80 -81.56 -45.82 15.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.915 0.388 . . . . 0.0 110.938 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.95 -25.46 66.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -95.34 0.41 53.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm 50.18 43.95 26.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.6 ptm -142.55 153.26 61.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.542 0.687 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.556 ' HG2' HD11 ' A' ' 44' ' ' ILE . 53.9 Cg_endo -69.8 155.31 66.13 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.626 2.218 . . . . 0.0 112.353 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 43' ' ' VAL . . . . . 0.489 ' C ' HD12 ' A' ' 44' ' ' ILE . 23.3 t -86.04 117.49 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.091 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.567 HD12 ' N ' ' A' ' 44' ' ' ILE . 4.0 mp -130.49 140.5 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.8 t -55.76 130.44 18.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.4 t -88.9 -58.81 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.3 tpt85 -144.8 151.38 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 30' ' ' GLY . 41.6 t -133.5 115.44 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.85 146.89 53.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.545 0.688 . . . . 0.0 111.115 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 164.05 35.98 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.727 2.285 . . . . 0.0 112.358 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.99 40.73 95.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.564 HG21 ' HA3' ' A' ' 30' ' ' GLY . 16.5 p -131.5 154.78 81.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.579 0.704 . . . . 0.0 111.111 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -0.86 7.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.79 -5.93 19.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -107.68 -53.65 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.9 mt -67.65 -22.64 65.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.8 p -60.45 170.69 1.28 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.512 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 57.4 t -140.73 133.94 14.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.594 0.711 . . . . 0.0 111.145 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.62 ' HG2' HD13 ' A' ' 19' ' ' ILE . 54.1 Cg_endo -69.74 139.66 55.86 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.623 -1.824 . . . . 0.0 112.365 -0.091 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -53.84 128.81 31.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 24.1 tp -81.38 86.5 6.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -82.03 168.1 18.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -68.07 134.89 51.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.74 -13.33 32.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.12 85.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.764 0.316 . . . . 0.0 110.864 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -59.38 113.42 2.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.6 t -73.93 105.08 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.728 HG12 ' HG ' ' A' ' 69' ' ' LEU . 87.1 t -76.6 -40.24 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.728 ' HG ' HG12 ' A' ' 68' ' ' VAL . 41.1 mt -153.36 134.79 14.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.508 HG23 HD23 ' A' ' 100' ' ' LEU . 75.4 mt -99.44 122.1 50.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 59.11 27.19 16.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 70.46 41.44 66.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -137.74 158.95 43.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -84.24 107.28 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.47 HD12 ' C ' ' A' ' 75' ' ' ILE . 2.8 pp -117.85 -4.96 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.83 -27.19 64.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.059 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 37' ' ' TYR . 24.3 tt0 -79.14 -28.62 42.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -67.77 149.7 49.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.0 p -78.33 164.12 25.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.142 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -42.29 -55.07 3.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -59.67 -46.88 87.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -55.85 -39.66 71.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 86' ' ' PHE . 23.1 t -66.51 -68.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 83' ' ' VAL . 27.4 t -37.15 -51.12 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.153 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.57 -37.87 89.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 83' ' ' VAL . 46.4 t80 -50.16 -41.52 49.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.479 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 40.9 mt -62.99 -58.6 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.71 -42.78 62.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.086 179.856 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.63 107.1 18.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 18.7 mtt -111.07 141.73 44.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.508 HD23 HG23 ' A' ' 70' ' ' ILE . 8.7 mt -141.46 116.51 9.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.8 tp -80.57 99.75 8.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.584 HG23 HG13 ' A' ' 17' ' ' VAL . 3.9 m -109.0 172.25 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 103' ' ' ARG . . . . . 0.466 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 17.1 ttt-85 -102.02 139.32 20.2 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 104' ' ' PRO . . . . . 0.466 ' HD2' ' CG ' ' A' ' 103' ' ' ARG . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.837 0.351 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 17' ' ' VAL . . . . . 0.438 ' CG1' HG23 ' A' ' 102' ' ' VAL . 1.9 p -97.09 145.84 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' LEU . . . . . 0.476 HD11 ' CG ' ' A' ' 99' ' ' MET . 6.2 tp -112.63 135.97 52.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.538 HD13 ' HG2' ' A' ' 59' ' ' PRO . 17.3 mm -106.58 130.13 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 20' ' ' ARG . 5.7 mmm180 -122.8 128.62 50.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.3 ptp -172.3 148.29 2.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -106.76 143.94 28.06 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.561 0.696 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 159.87 51.82 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.733 2.288 . . . . 0.0 112.359 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -72.31 -176.14 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -60.08 -42.82 95.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -93.89 22.25 5.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.28 52.84 44.71 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.55 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -121.76 132.71 54.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' PHE . . . . . 0.845 ' CZ ' HD13 ' A' ' 98' ' ' LEU . 68.6 m-85 -104.26 175.59 5.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -129.97 67.75 0.56 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -159.53 135.26 8.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -98.68 153.44 18.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 m -128.66 171.04 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' LYS . . . . . 0.408 ' CG ' ' O ' ' A' ' 44' ' ' ILE . 1.5 ptmm? -151.98 122.1 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.81 -165.5 20.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.88 158.55 7.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.459 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -42.43 -31.79 0.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.877 0.37 . . . . 0.0 110.885 -179.779 . . . . . . . . 3 3 . 1 . 019 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -49.96 -43.22 50.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 41' ' ' MET . 17.5 mm100 -110.23 34.05 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 39' ' ' GLN . 30.3 mmtp 35.0 32.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 39' ' ' GLN . 25.8 ptm -122.62 152.62 62.11 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.538 0.685 . . . . 0.0 110.892 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 42' ' ' PRO . . . . . 0.864 ' HG2' HD11 ' A' ' 44' ' ' ILE . 53.7 Cg_endo -69.79 169.94 17.79 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.247 . . . . 0.0 112.342 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 83.9 t -91.56 102.3 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ILE . . . . . 0.864 HD11 ' HG2' ' A' ' 42' ' ' PRO . 2.8 mp -107.97 143.29 18.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.5 t -68.03 131.91 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.6 p -93.73 -56.16 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -141.95 160.13 40.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.9 t -134.81 119.08 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.26 150.41 74.08 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.572 0.701 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 50' ' ' PRO . . . . . 0.404 ' O ' HG23 ' A' ' 52' ' ' THR . 53.8 Cg_endo -69.75 169.65 18.4 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 48.36 42.35 25.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 50' ' ' PRO . 23.8 p -119.86 153.2 54.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.534 0.683 . . . . 0.0 111.163 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 2.13 3.82 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -110.57 -13.94 14.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -100.87 -43.97 5.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 mt -74.68 -24.65 58.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.4 p -66.03 161.27 21.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.519 HG13 ' HA ' ' A' ' 59' ' ' PRO . 67.2 t -128.42 134.37 26.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.672 0.749 . . . . 0.0 111.166 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.538 ' HG2' HD13 ' A' ' 19' ' ' ILE . 54.2 Cg_endo -69.74 143.03 72.68 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.325 -0.022 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -55.92 129.71 40.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.7 tp -80.91 100.95 9.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -94.85 167.07 11.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -62.93 157.77 20.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 64' ' ' GLY . . . . . 0.457 ' O ' HG23 ' A' ' 44' ' ' ILE . . . 84.41 -22.74 8.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.64 87.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 110.837 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' GLY . 38.6 tt0 -67.23 115.74 7.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.4 t -76.3 108.01 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.6 t -71.9 -34.85 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.6 mt -155.86 162.79 40.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.57 HG13 HD13 ' A' ' 75' ' ' ILE . 37.1 mt -130.89 114.08 26.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 57.74 34.56 24.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.43 37.86 95.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.496 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -136.46 135.67 38.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.768 0.318 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -58.11 119.74 7.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.57 HD13 HG13 ' A' ' 70' ' ' ILE . 5.1 pt -114.99 -28.68 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ALA . . . . . 0.412 ' N ' HG13 ' A' ' 75' ' ' ILE . . . -47.7 -34.06 7.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -75.56 -26.33 57.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -76.86 155.95 32.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.607 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.5 p -92.74 172.13 8.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.583 ' O ' HG23 ' A' ' 84' ' ' VAL . 24.7 t-80 -52.57 -54.64 30.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.46 -58.87 5.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 83' ' ' VAL . 30.2 mm-40 -49.76 -63.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 79' ' ' THR . 90.9 t -37.51 -58.69 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 80' ' ' HIS . 94.1 t -44.24 -43.25 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.34 -42.38 59.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -53.61 -38.47 64.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 87' ' ' ILE . . . . . 0.609 HG23 HD11 ' A' ' 98' ' ' LEU . 12.2 mt -68.19 -44.32 84.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 69.4 mttm -62.93 -31.92 73.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 179.898 . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.4 pm0 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.845 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 5.7 tt -134.15 145.82 49.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' MET . . . . . 0.489 ' N ' HD23 ' A' ' 98' ' ' LEU . 24.1 ttm -133.08 144.97 50.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.4 mt -135.09 152.48 51.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 21.1 tp -124.28 99.76 6.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' VAL . . . . . 0.438 HG23 ' CG1' ' A' ' 17' ' ' VAL . 11.1 m -109.48 171.98 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -104.56 136.25 19.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.648 2.232 . . . . 0.0 112.361 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.836 0.351 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.1 t -98.45 137.62 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.7 tp -114.36 132.92 56.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 19' ' ' ILE . . . . . 0.52 HD13 ' HG2' ' A' ' 59' ' ' PRO . 7.9 mm -103.2 124.97 57.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -128.0 121.53 30.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.51 161.82 42.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.98 152.33 42.98 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 128.89 16.72 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.768 2.312 . . . . 0.0 112.328 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -44.39 167.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -48.81 -43.32 38.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -84.24 -23.62 30.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.03 53.66 0.95 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.476 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -143.8 128.13 17.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -84.68 -176.6 6.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' GLY . . . . . 0.529 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -132.08 63.57 0.62 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.47 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 4.3 p90 -161.41 129.74 4.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.377 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' ASN . . . . . 0.413 ' CB ' ' HB3' ' A' ' 46' ' ' SER . 11.0 m120 -98.9 168.84 9.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.9 m -140.89 158.14 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -149.74 134.75 17.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.41 -154.33 16.76 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.09 170.9 16.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -49.04 -29.07 4.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.943 0.401 . . . . 0.0 110.892 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -54.93 -33.46 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 41' ' ' MET . 10.3 mt-30 -123.28 30.71 6.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 40' ' ' LYS . . . . . 0.405 ' N ' ' HD3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER 38.92 29.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 41' ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' GLN . 15.2 ptm -123.59 153.06 66.14 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.545 0.688 . . . . 0.0 110.904 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 150.64 68.51 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.655 2.236 . . . . 0.0 112.376 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.6 t -86.73 104.34 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.3 mp -115.8 147.68 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.6 t -51.21 131.74 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 46' ' ' SER . . . . . 0.413 ' HB3' ' CB ' ' A' ' 32' ' ' ASN . 35.3 t -86.66 -63.94 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -145.98 162.56 37.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 49' ' ' ALA . 46.2 t -137.71 155.4 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' ALA . . . . . 0.446 ' N ' HG12 ' A' ' 48' ' ' VAL . . . -134.7 148.32 66.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.6 0.714 . . . . 0.0 111.143 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.6 33.89 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.96 -5.63 61.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' THR . . . . . 0.529 HG21 ' HA3' ' A' ' 30' ' ' GLY . 37.5 p -95.29 152.31 39.28 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.578 0.704 . . . . 0.0 111.142 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 3.74 2.62 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.293 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -107.45 -24.36 11.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.06 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -94.37 -11.94 28.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 30.9 mt -105.05 -37.07 7.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 23.5 p -53.94 170.16 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 58' ' ' VAL . . . . . 0.516 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 59.4 t -140.91 133.66 14.41 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.665 0.745 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' PRO . . . . . 0.52 ' HG2' HD13 ' A' ' 19' ' ' ILE . 53.9 Cg_endo -69.74 133.68 26.52 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.339 -0.084 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -54.17 146.98 13.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.0 tp -100.49 102.4 13.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -110.35 168.89 9.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -51.48 146.9 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.27 -44.24 1.55 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -49.49 95.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.715 0.293 . . . . 0.0 110.82 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -73.8 127.54 33.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.8 t -77.16 107.78 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.097 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' VAL . . . . . 0.477 HG12 ' HG ' ' A' ' 69' ' ' LEU . 47.5 t -79.23 -44.32 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.477 ' HG ' HG12 ' A' ' 68' ' ' VAL . 34.6 mt -148.99 165.1 32.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' ILE . . . . . 0.69 HD12 HG21 ' A' ' 75' ' ' ILE . 31.0 mt -126.05 113.2 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 53.61 41.58 32.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.45 -36.25 2.79 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' ARG . . . . . 0.555 ' HD3' ' CE2' ' A' ' 86' ' ' PHE . 4.9 ptm180 -78.81 157.62 28.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -95.72 148.84 22.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' ILE . . . . . 0.69 HG21 HD12 ' A' ' 70' ' ' ILE . 2.8 pp -130.92 20.52 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.97 -29.91 64.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -70.82 -30.97 67.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 78' ' ' HIS . . . . . 0.4 ' ND1' ' CD ' ' A' ' 82' ' ' GLN . 3.8 m-70 -79.19 173.04 12.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 80' ' ' HIS . 53.4 p -108.94 161.3 15.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 80' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 79' ' ' THR . 1.0 OUTLIER -38.01 -49.14 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.83 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 81' ' ' ASP . . . . . 0.619 ' O ' HD23 ' A' ' 85' ' ' LEU . 1.6 m-20 -51.58 -59.96 3.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 83' ' ' VAL . 51.4 mt-30 -51.54 -65.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 83' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 82' ' ' GLN . 66.4 t -35.11 -61.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 96.6 t -49.28 -43.69 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 85' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 81' ' ' ASP . 4.3 mm? -64.67 -42.96 95.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PHE . . . . . 0.555 ' CE2' ' HD3' ' A' ' 73' ' ' ARG . 23.7 t80 -61.55 -55.23 33.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.4 mt -50.5 -55.41 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -31.9 70.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 89' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 86' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.895 0.379 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 98' ' ' LEU . . . . . 0.527 HD11 HD21 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -90.98 118.86 30.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.959 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 16.8 mtt -125.29 118.79 26.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' LEU . . . . . 0.527 HD21 HD11 ' A' ' 98' ' ' LEU . 20.6 mt -125.25 131.43 53.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.0 tp -101.27 105.22 16.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 31.1 m -107.48 152.09 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -90.56 126.12 57.27 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -158.0 -177.27 6.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 m 61.38 46.26 7.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.03 -116.87 1.31 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.523 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t 63.08 45.36 5.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 m -151.68 130.15 12.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.48 117.03 0.7 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -162.0 138.73 8.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.02 -173.9 46.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -175.77 103.58 0.18 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.537 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.535 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -61.83 147.17 89.94 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.649 0.738 . . . . 0.0 111.111 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 147.11 62.13 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.679 2.252 . . . . 0.0 112.331 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -41.68 -49.39 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -43.01 160.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -120.2 45.42 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 103' ' ' ARG . 82.3 mt -82.1 159.81 23.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.4 t -82.6 130.5 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 tp -104.47 128.38 52.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.416 HD13 ' HG2' ' A' ' 59' ' ' PRO . 4.7 mm -96.57 120.65 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 -113.0 118.88 36.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.8 ptp -156.85 169.25 25.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.36 150.8 65.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.571 0.7 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 154.15 67.98 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.625 2.217 . . . . 0.0 112.359 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -74.45 174.46 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -45.1 -55.27 5.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -74.27 -28.77 61.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.34 43.6 1.58 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 28' ' ' ARG . 19.9 mtm105 -124.63 144.18 50.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.886 0.374 . . . . 0.0 110.864 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.431 ' CE2' ' HG ' ' A' ' 98' ' ' LEU . 34.1 m-85 -105.44 178.14 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.52 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -121.48 37.94 2.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 26.0 p90 -139.03 126.87 22.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -103.7 151.86 22.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.432 ' HB ' ' CG1' ' A' ' 43' ' ' VAL . 32.7 m -127.16 172.52 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.8 pttt -153.44 148.99 27.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.44 -174.84 27.54 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.473 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.99 170.7 12.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.5 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -42.53 -36.62 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 0.0 110.944 -179.786 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.556 ' HB2' HG22 ' A' ' 79' ' ' THR . 11.9 t0 -53.22 -43.09 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 41' ' ' MET . 31.1 mm-40 -108.7 31.06 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 39' ' ' GLN . 0.4 OUTLIER 32.8 36.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 39' ' ' GLN . 16.9 ptm -130.07 152.67 80.43 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.836 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 154.02 68.25 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.432 ' CG1' ' HB ' ' A' ' 33' ' ' VAL . 21.9 t -89.23 106.48 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.97 140.68 43.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.5 t -50.54 143.19 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.1 p -107.24 -52.42 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.785 ' NH1' ' HB2' ' A' ' 49' ' ' ALA . 2.9 tmm_? -145.7 144.11 30.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.708 HG23 ' OE2' ' A' ' 63' ' ' GLU . 96.8 t -131.12 117.04 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.785 ' HB2' ' NH1' ' A' ' 47' ' ' ARG . . . -90.15 152.6 46.18 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.558 0.694 . . . . 0.0 111.114 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.759 ' O ' HG23 ' A' ' 52' ' ' THR . 53.3 Cg_endo -69.77 -169.47 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.326 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 40.35 38.7 1.45 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.759 HG23 ' O ' ' A' ' 50' ' ' PRO . 42.1 p -128.3 153.08 78.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.626 0.727 . . . . 0.0 111.132 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 2.83 3.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -110.42 -10.06 14.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -109.82 -21.8 12.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.2 mt -93.97 -27.68 16.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 18.8 p -67.92 165.92 16.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.659 HG13 ' HA ' ' A' ' 59' ' ' PRO . 84.1 t -134.77 137.39 27.32 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.594 0.712 . . . . 0.0 111.151 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.659 ' HA ' HG13 ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.81 135.68 35.14 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.386 0.013 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -55.83 140.22 43.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.1 tp -89.66 93.05 9.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -88.57 168.23 12.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.708 ' OE2' HG23 ' A' ' 48' ' ' VAL . 79.0 mm-40 -63.3 138.48 58.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.72 -32.7 6.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -52.92 101.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.747 0.308 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -79.65 122.1 26.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.967 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 50.1 t -78.58 115.32 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.555 HG12 ' HG ' ' A' ' 69' ' ' LEU . 60.8 t -87.75 -35.45 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.555 ' HG ' HG12 ' A' ' 68' ' ' VAL . 56.2 mt -155.87 170.15 22.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.923 HD12 HG21 ' A' ' 75' ' ' ILE . 68.8 mt -135.53 133.13 52.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.582 ' ND2' HG22 ' A' ' 70' ' ' ILE . 21.9 p30 38.35 30.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 72' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . 77.3 42.41 18.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 70' ' ' ILE . 23.5 mmt180 -135.51 143.04 45.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.09 88.95 5.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.808 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.923 HG21 HD12 ' A' ' 70' ' ' ILE . 2.5 pp -87.22 26.43 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.03 -39.01 17.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -87.51 26.23 1.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -124.93 125.84 44.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.818 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.556 HG22 ' HB2' ' A' ' 38' ' ' ASP . 37.4 p -67.44 155.85 38.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 79' ' ' THR . 55.5 t60 -35.66 -61.47 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -44.8 -48.27 10.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -64.02 -58.11 7.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.4 t -47.44 -57.11 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 77.3 t -47.35 -43.25 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.5 mt -69.54 -44.51 70.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -45.24 -61.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.583 HG23 HD21 ' A' ' 98' ' ' LEU . 19.0 mt -46.89 -50.08 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 89' ' ' ALA . 22.9 mttm -54.62 -49.54 70.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 90' ' ' SER . . . -35.59 -53.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 89' ' ' ALA . 5.9 t -35.11 -47.12 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 92' ' ' GLU . 89.7 m -42.74 -52.84 4.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 91' ' ' CYS . 17.6 mt-10 -36.6 -60.6 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 41.8 ptt85 -84.01 131.0 34.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -77.93 -56.65 4.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 65.5 m -52.24 98.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 137.78 156.34 7.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.474 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -122.31 172.22 8.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.855 0.359 . . . . 0.0 110.895 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.583 HD21 HG23 ' A' ' 87' ' ' ILE . 0.7 OUTLIER -91.43 104.49 17.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 10.7 mtt -109.72 132.79 53.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.484 HD21 HD11 ' A' ' 98' ' ' LEU . 7.9 mt -128.72 114.66 16.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.4 tp -84.11 101.61 11.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.6 m -110.28 144.66 17.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.524 ' HB3' HD22 ' A' ' 16' ' ' LEU . 11.3 ptm180 -94.25 136.69 23.25 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.648 0.737 . . . . 0.0 110.813 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 160.34 50.06 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -117.69 84.23 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.4 120.8 24.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.7 p -168.82 137.05 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -67.21 137.33 56.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -127.01 104.85 8.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 99.4 t -125.56 130.78 72.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.1 p -136.31 142.97 37.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -157.18 141.45 16.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -168.32 107.6 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.5 t -120.41 155.15 34.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -127.46 146.72 16.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -176.81 1.61 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.343 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.0 t -108.09 119.33 39.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 t -42.73 -57.62 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.832 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -80.72 -52.99 6.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 0.0 110.898 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.2 m -106.49 117.88 35.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.86 105.87 0.19 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -90.43 146.28 24.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 110.844 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 m -115.59 177.05 4.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.69 -138.93 2.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -157.35 165.82 34.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.938 0.399 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.26 157.81 41.18 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.3 176.44 0.93 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.4 pt -49.06 145.44 6.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.685 0.755 . . . . 0.0 111.156 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -49.34 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.703 2.269 . . . . 0.0 112.342 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 46.71 29.89 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.54 178.6 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -127.98 -53.31 1.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.62 155.24 30.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.493 HG13 ' HG3' ' A' ' 59' ' ' PRO . 96.8 t -102.75 129.97 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.1 tp -101.02 137.61 39.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.418 HD13 ' HG2' ' A' ' 59' ' ' PRO . 14.4 mm -111.12 120.43 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.2 mtm180 -115.07 127.93 55.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.7 ptp -158.38 157.0 31.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -120.91 148.52 48.82 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.598 0.713 . . . . 0.0 110.866 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 139.9 41.15 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.03 -176.35 1.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -56.45 -41.35 76.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -74.35 -16.19 60.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.51 45.94 12.92 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -135.85 147.72 48.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.868 ' CE2' HD22 ' A' ' 98' ' ' LEU . 69.1 m-85 -100.85 169.81 8.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.07 50.53 0.8 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.443 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 11.3 p90 -150.25 124.47 9.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -99.63 151.4 21.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.1 m -126.32 150.94 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -140.7 138.35 34.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.462 ' HA2' ' CG ' ' A' ' 41' ' ' MET . . . 116.96 165.75 13.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.453 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.55 -161.36 32.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -79.24 -41.24 28.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.839 0.352 . . . . 0.0 110.928 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -63.95 -36.1 82.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' LYS . 14.7 mm100 -92.21 11.65 24.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' GLN . 0.5 OUTLIER 34.86 53.4 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.462 ' CG ' ' HA2' ' A' ' 35' ' ' GLY . 13.3 ptm -148.84 152.76 37.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.59 0.71 . . . . 0.0 110.868 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 153.69 68.35 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.249 . . . . 0.0 112.315 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.434 HG21 HD13 ' A' ' 75' ' ' ILE . 46.0 t -87.57 106.02 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mp -121.96 141.88 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.581 HG11 ' CG2' ' A' ' 48' ' ' VAL . 66.7 t -50.66 102.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.6 t -55.4 -65.84 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 tpt85 -142.99 152.73 42.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.581 ' CG2' HG11 ' A' ' 45' ' ' VAL . 47.7 t -134.86 125.17 45.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.77 151.11 39.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.604 0.716 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.445 ' O ' HG23 ' A' ' 52' ' ' THR . 53.4 Cg_endo -69.8 179.1 3.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 44.99 46.41 9.49 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 50' ' ' PRO . 17.7 p -131.13 154.56 82.03 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.579 0.704 . . . . 0.0 111.161 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 0.42 5.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.734 2.29 . . . . 0.0 112.36 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.13 -16.04 14.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -102.09 -58.08 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.2 mt -53.62 -16.36 1.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 15.0 p -69.6 170.28 11.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.506 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 5.3 p -141.29 131.66 13.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.561 0.696 . . . . 0.0 111.175 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.3 Cg_endo -69.82 134.24 28.84 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.309 0.047 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -45.61 142.81 2.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.0 tp -91.36 85.18 5.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -89.64 146.66 24.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.0 mp0 -45.66 158.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 66' ' ' GLN . . . 91.89 -38.43 3.2 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -55.19 85.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.764 0.316 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 64' ' ' GLY . 39.7 tt0 -54.4 150.83 8.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.1 t -102.36 105.49 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.488 HG12 ' HG ' ' A' ' 69' ' ' LEU . 89.6 t -73.98 -50.24 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.488 ' HG ' HG12 ' A' ' 68' ' ' VAL . 68.5 mt -147.07 136.36 22.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.806 HD12 HG21 ' A' ' 75' ' ' ILE . 83.1 mt -106.13 126.09 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.9 m120 48.58 26.11 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 75.37 35.11 48.88 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -130.55 151.79 50.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.822 0.344 . . . . 0.0 110.846 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 25.9 p-10 -80.32 120.07 23.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.962 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.806 HG21 HD12 ' A' ' 70' ' ' ILE . 2.7 pp -119.55 7.56 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.14 -47.79 55.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.141 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.68 -30.41 65.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.837 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 53.5 m80 -68.97 140.13 55.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.985 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 80' ' ' HIS . 62.0 p -76.08 156.8 33.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.424 ' C ' ' O ' ' A' ' 79' ' ' THR . 4.5 t-80 -36.29 -62.42 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -46.93 -55.89 7.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 10.0 mm100 -50.36 -60.32 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 -179.941 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.441 HG22 ' HB ' ' A' ' 75' ' ' ILE . 90.0 t -45.7 -54.93 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.4 t -50.9 -38.77 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.3 mt -69.4 -50.53 45.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 30.5 t80 -43.99 -57.2 3.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 72.0 mt -47.61 -49.84 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -55.98 -44.66 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 86' ' ' PHE . . . -40.27 -46.94 2.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 89' ' ' ALA . 94.5 p -36.05 -44.63 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 6.2 m -45.36 -48.43 13.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -72.36 89.38 1.22 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -174.97 162.07 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -57.91 -58.5 8.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.6 t -167.2 161.14 14.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.413 ' C ' ' OE1' ' A' ' 97' ' ' GLU . . . 155.4 -177.73 32.42 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.413 ' OE1' ' C ' ' A' ' 96' ' ' GLY . 0.7 OUTLIER -126.97 169.09 13.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.349 . . . . 0.0 110.948 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.868 HD22 ' CE2' ' A' ' 29' ' ' PHE . 10.3 tp -99.03 130.64 45.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 27.0 mtp -129.49 126.27 38.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.0 mt -122.62 123.51 41.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.0 tp -90.87 101.87 14.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.7 m -111.81 163.68 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.5 ttm-85 -104.92 137.03 19.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.612 0.72 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 146.81 61.37 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -116.02 79.68 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.54 113.73 5.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 60.3 t -135.7 135.39 51.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 108' ' ' TYR . 3.0 p90 -87.58 137.92 31.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -167.21 135.6 2.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 60.4 t -70.31 142.73 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.4 p -130.69 132.64 64.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -126.95 153.79 45.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -170.57 114.61 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.5 t -146.93 123.07 10.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -150.79 79.04 0.21 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -170.48 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.258 . . . . 0.0 112.319 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 12.9 m -152.78 151.72 30.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.9 t 41.08 43.6 1.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -157.54 153.48 27.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.881 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.0 t -60.24 159.24 10.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.66 -164.78 45.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.9 m -82.09 87.82 6.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.824 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 t -154.02 145.18 22.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.42 -152.58 7.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -100.54 95.63 6.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.366 . . . . 0.0 110.937 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.02 105.24 0.39 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.453 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -146.7 68.84 0.38 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.57 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -44.12 147.97 0.87 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.622 0.725 . . . . 0.0 111.115 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 178.31 4.68 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -86.01 95.51 9.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -93.51 -39.51 10.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -64.64 -47.56 78.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.27 141.2 52.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.957 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.0 t -88.22 145.65 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.3 tp -121.92 141.02 51.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.415 HG13 HD13 ' A' ' 61' ' ' LEU . 21.5 mm -113.15 144.82 20.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -138.01 123.77 19.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.5 ptp -160.55 160.68 32.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.93 144.08 36.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.563 0.697 . . . . 0.0 110.927 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' PRO . . . . . 0.474 ' HD3' ' CZ ' ' A' ' 29' ' ' PHE . 54.2 Cg_endo -69.71 89.14 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.691 2.261 . . . . 0.0 112.356 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' GLU . 27.1 t70 -122.3 -71.21 0.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 24' ' ' ASP . 15.1 mp0 -35.53 -60.03 0.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -124.38 19.14 8.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.44 23.66 35.58 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -155.44 154.34 31.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.474 ' CZ ' ' HD3' ' A' ' 23' ' ' PRO . 26.2 m-85 -89.23 132.9 34.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.603 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -90.41 73.79 1.84 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.524 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.506 ' HZ ' HD13 ' A' ' 87' ' ' ILE . 7.5 p90 -158.5 128.01 5.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -102.6 166.01 10.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.9 m -140.38 168.89 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -153.98 171.79 18.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.8 -154.59 34.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 130.23 169.0 12.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -54.36 -21.33 9.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.924 0.392 . . . . 0.0 110.946 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -65.28 -38.88 91.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -108.22 25.07 12.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.4 39.58 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.6 ptm -131.18 151.96 79.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.559 0.695 . . . . 0.0 110.844 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.718 ' HG2' HD11 ' A' ' 44' ' ' ILE . 53.8 Cg_endo -69.77 155.93 64.64 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.0 t -87.93 107.56 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.718 HD11 ' HG2' ' A' ' 42' ' ' PRO . 4.9 mp -117.65 141.45 36.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 78.1 t -51.91 128.27 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.175 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.3 t -82.64 -63.29 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -143.38 163.79 32.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 30' ' ' GLY . 21.1 t -140.4 117.36 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.83 149.81 60.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.627 0.727 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 175.4 8.15 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 47.12 49.03 19.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.603 HG21 ' HA3' ' A' ' 30' ' ' GLY . 12.2 p -131.86 155.02 81.9 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.721 . . . . 0.0 111.159 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 2.72 3.26 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.668 2.245 . . . . 0.0 112.33 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.55 -18.58 14.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.091 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -97.14 -51.2 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.06 -22.04 66.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.7 p -64.72 161.95 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.463 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 52.5 t -124.93 125.05 25.43 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.678 0.751 . . . . 0.0 111.092 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.3 Cg_endo -69.8 179.43 22.41 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.337 -0.028 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -89.44 121.83 32.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.415 HD13 HG13 ' A' ' 19' ' ' ILE . 14.0 tp -69.58 94.61 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -99.88 163.06 12.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.57 150.18 36.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.65 -39.58 2.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -51.98 105.07 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.745 0.307 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -72.61 117.6 14.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.8 t -69.11 108.6 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.556 HG12 ' HG ' ' A' ' 69' ' ' LEU . 63.7 t -83.01 -54.74 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.556 ' HG ' HG12 ' A' ' 68' ' ' VAL . 85.2 mt -140.99 143.24 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.629 HG22 ' ND2' ' A' ' 71' ' ' ASN . 94.9 mt -111.48 113.39 44.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.629 ' ND2' HG22 ' A' ' 70' ' ' ILE . 55.1 m-20 58.86 45.58 15.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.21 33.09 57.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.426 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -127.91 143.78 51.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.807 0.337 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -80.03 109.41 14.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.613 ' O ' HD12 ' A' ' 75' ' ' ILE . 2.6 pp -113.71 18.04 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.75 -18.39 60.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -96.2 1.76 52.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -96.57 148.08 23.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 80' ' ' HIS . 34.4 p -88.46 156.24 19.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.442 ' O ' HG23 ' A' ' 84' ' ' VAL . 3.1 t-80 -35.09 -55.45 0.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -56.17 -59.57 4.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -49.83 -63.11 1.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.9 t -40.35 -55.2 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 80' ' ' HIS . 41.4 t -47.42 -45.6 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.9 mp -71.58 -32.5 68.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -57.94 -42.61 85.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.572 HG23 ' CD1' ' A' ' 98' ' ' LEU . 47.0 mt -67.84 -37.48 78.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.08 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -57.32 -44.41 84.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 90' ' ' SER . . . -38.9 -46.92 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 89' ' ' ALA . 3.3 m -35.22 -44.38 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.5 t -43.77 -54.2 5.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -100.95 78.44 1.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -158.69 132.95 7.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -38.84 -57.21 1.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 t -46.42 -69.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.66 -85.02 0.91 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -43.94 117.72 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.936 0.398 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.572 ' CD1' HG23 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -92.53 153.87 18.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.478 ' N ' ' HG ' ' A' ' 98' ' ' LEU . 6.2 mtt -136.91 141.61 42.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.4 mt -124.91 113.69 18.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.3 tp -84.64 101.12 11.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.3 m -105.42 169.06 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.1 ttt85 -107.95 136.19 19.77 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 142.65 48.34 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -124.54 36.62 4.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -102.97 169.6 8.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 85.2 t -134.19 134.26 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -82.08 122.92 28.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 110' ' ' VAL . 2.5 p30 -147.34 149.31 32.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.845 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 109' ' ' ASP . 2.5 p -34.58 149.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 84.4 t -115.86 85.06 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -111.39 116.65 31.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -165.46 108.49 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 53.4 p -83.23 146.69 28.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -174.28 168.75 41.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.546 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 109.88 2.41 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.262 . . . . 0.0 112.382 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.7 p -98.98 160.11 14.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.4 p -120.55 101.74 7.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.556 -179.939 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -112.98 141.99 46.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -150.21 175.01 12.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.9 102.77 2.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -108.97 144.8 36.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 t -82.64 125.3 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.24 -167.75 0.21 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -77.57 139.98 39.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.917 0.389 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.64 70.8 0.27 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.33 170.56 26.24 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.519 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.663 HG23 ' HD2' ' A' ' 12' ' ' PRO . 54.7 mt -83.39 138.53 41.68 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.582 0.706 . . . . 0.0 111.137 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.663 ' HD2' HG23 ' A' ' 11' ' ' ILE . 53.8 Cg_endo -69.73 151.11 69.15 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 13' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' ASP . 59.0 t-80 -81.88 91.08 6.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' HIS . 2.5 m-20 -38.16 106.59 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -100.19 -46.27 5.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.407 ' CD2' ' HG3' ' A' ' 103' ' ' ARG . 29.9 mt -88.77 159.5 17.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.1 t -96.66 148.66 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 tp -124.23 142.09 51.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.414 HD13 ' HG2' ' A' ' 59' ' ' PRO . 7.8 mm -105.14 134.36 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.7 mtm-85 -133.59 126.5 31.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -154.6 174.46 14.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -125.33 148.93 62.69 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.573 0.701 . . . . 0.0 110.909 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 130.66 19.66 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.67 2.247 . . . . 0.0 112.324 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -52.45 -176.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -54.84 -59.92 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -67.42 -18.28 65.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.81 46.98 3.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.43 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -131.74 148.48 52.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -100.56 -177.87 3.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.508 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -136.07 50.88 0.83 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 8.4 p90 -147.05 127.27 13.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -99.15 161.11 13.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.7 m -134.26 161.49 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -151.32 163.14 39.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.526 ' O ' HG22 ' A' ' 43' ' ' VAL . . . 73.66 155.21 3.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.481 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -173.19 -156.46 13.03 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -74.4 -37.68 63.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.868 0.366 . . . . 0.0 110.938 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -63.11 -14.65 51.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -115.88 7.58 14.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt 52.98 27.63 5.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 17.5 ptm -129.16 152.58 79.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.545 0.688 . . . . 0.0 110.869 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.826 ' HG2' HD11 ' A' ' 44' ' ' ILE . 54.1 Cg_endo -69.71 156.97 62.09 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.67 2.247 . . . . 0.0 112.372 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 35' ' ' GLY . 54.9 t -86.91 106.3 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.826 HD11 ' HG2' ' A' ' 42' ' ' PRO . 4.1 mp -115.48 149.76 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 32.1 t -58.37 127.56 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 t -80.23 -62.24 1.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -144.88 155.41 43.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.9 t -139.53 113.73 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.47 151.0 71.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 111.067 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 167.64 23.86 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.656 2.238 . . . . 0.0 112.321 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.56 34.97 78.27 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.544 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.508 HG21 ' HA3' ' A' ' 30' ' ' GLY . 18.9 p -116.94 154.61 49.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.589 0.709 . . . . 0.0 111.132 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -3.29 11.74 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.4 -8.73 18.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -102.78 -50.94 3.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.95 -10.9 59.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.9 p -71.72 174.35 6.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.505 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 4.6 p -142.98 129.4 10.53 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.575 0.702 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.81 134.4 29.47 Favored 'Cis proline' 0 C--O 1.231 0.148 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.313 -0.04 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.5 ttt180 -52.64 122.84 9.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.0 tp -77.06 99.87 5.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -107.16 160.03 15.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -49.16 139.77 10.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.8 -33.66 6.16 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.31 90.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -69.42 119.35 13.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.5 t -78.7 125.66 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.697 HG12 ' HG ' ' A' ' 69' ' ' LEU . 48.3 t -98.28 -56.05 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.697 ' HG ' HG12 ' A' ' 68' ' ' VAL . 17.7 mt -137.95 139.87 39.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.719 HD12 HG21 ' A' ' 75' ' ' ILE . 95.0 mt -104.65 117.12 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 56.74 26.84 11.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.06 38.36 19.24 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -130.62 148.61 52.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -83.16 86.0 7.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.719 HG21 HD12 ' A' ' 70' ' ' ILE . 2.7 pp -88.44 -17.69 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.67 -27.95 69.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -82.08 -7.11 59.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -101.58 149.41 24.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 81.2 p -64.9 162.82 15.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.4 t-80 -55.72 -58.3 8.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -41.37 -65.8 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -44.62 -56.02 4.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 86' ' ' PHE . 20.0 t -44.74 -58.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 85.6 t -44.81 -44.81 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.9 mp -71.51 -25.31 62.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 83' ' ' VAL . 7.9 t80 -60.26 -57.55 12.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 22.9 mt -65.14 -35.83 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -57.08 -42.49 80.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 90' ' ' SER . . . -40.24 -44.21 1.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 89' ' ' ALA . 77.5 p -35.65 -40.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 76.4 m -40.39 -50.52 2.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 94' ' ' HIS . 9.5 tt0 -69.87 -38.97 76.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -56.09 88.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.459 ' CD2' ' HG ' ' A' ' 95' ' ' SER . 9.0 p-80 -40.6 -39.02 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.459 ' HG ' ' CD2' ' A' ' 94' ' ' HIS . 68.5 m -140.6 129.34 23.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 159.84 88.04 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.519 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -46.92 172.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.914 0.388 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.0 tp -113.74 107.74 16.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 24.4 mtp -108.75 99.2 8.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.523 HD23 HG23 ' A' ' 70' ' ' ILE . 2.1 mt -103.61 124.61 49.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.0 tp -90.43 100.68 13.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 6.0 m -103.47 156.44 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.407 ' HG3' ' CD2' ' A' ' 16' ' ' LEU . 33.9 ttt180 -101.75 136.8 19.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 110.83 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 165.91 29.39 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -125.17 44.32 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -85.46 20.6 2.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 108' ' ' TYR . 32.8 m -55.56 159.75 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.446 ' C ' ' O ' ' A' ' 107' ' ' VAL . 8.1 t80 -34.62 132.86 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -170.69 145.31 2.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 95.6 t -109.62 134.39 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 95.9 t -147.75 137.81 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -161.94 151.55 16.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -92.27 77.21 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.1 m -98.26 116.89 31.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 153.77 82.27 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.462 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -29.08 24.52 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.723 2.282 . . . . 0.0 112.376 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.7 m 38.73 43.87 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.4 t -70.68 135.03 48.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.452 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -156.29 116.47 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.379 . . . . 0.0 110.843 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 t -123.32 118.54 27.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.55 -166.96 11.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.511 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.9 p -152.31 152.12 31.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.38 . . . . 0.0 110.837 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -110.21 163.92 13.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.77 144.9 4.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.8 m120 -161.39 111.62 1.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.33 120.41 6.43 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.01 75.72 0.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.531 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.9 pt -54.74 144.6 44.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.613 0.72 . . . . 0.0 111.141 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 169.39 19.05 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.691 2.261 . . . . 0.0 112.389 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -86.97 -68.39 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -66.4 169.13 7.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -82.6 81.34 8.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.35 155.44 38.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.1 t -93.84 120.81 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.1 tp -97.56 133.19 42.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.444 HD13 ' HG2' ' A' ' 59' ' ' PRO . 22.4 mm -104.59 104.52 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -99.49 117.17 33.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.4 ptp -147.14 174.68 11.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -128.01 150.83 74.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.558 0.694 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 133.13 24.86 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.725 2.283 . . . . 0.0 112.36 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -49.84 179.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -53.45 -57.0 12.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -70.23 -20.73 63.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.67 43.82 1.9 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -126.19 156.33 40.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -113.07 179.13 4.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -131.72 65.04 0.6 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.475 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 8.0 p90 -165.23 128.41 2.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -104.81 164.54 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.2 m -134.16 162.74 38.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -152.51 137.92 17.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.58 -171.93 14.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.498 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.76 174.81 13.53 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.544 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -53.82 -33.31 55.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.875 0.369 . . . . 0.0 110.899 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -54.02 -34.1 59.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 40' ' ' LYS . 68.1 mt-30 -118.67 28.98 7.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.457 ' N ' ' HD3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER 35.3 41.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.9 ptm -137.2 151.93 72.62 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.563 0.697 . . . . 0.0 110.915 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.741 ' O ' HD12 ' A' ' 44' ' ' ILE . 53.8 Cg_endo -69.79 142.37 47.62 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.329 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.2 t -79.99 108.16 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.741 HD12 ' O ' ' A' ' 42' ' ' PRO . 5.0 mp -116.07 148.74 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 71.4 t -52.65 124.22 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.4 t -77.71 -66.11 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 17.8 tpp85 -142.9 154.93 44.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.428 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 88.3 t -136.5 113.7 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.53 149.31 78.12 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 0.0 111.123 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 163.65 37.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.379 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 51.67 56.53 15.38 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 p -134.55 157.0 78.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.6 0.714 . . . . 0.0 111.143 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -0.39 6.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.709 2.273 . . . . 0.0 112.291 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.19 -14.13 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -102.49 -54.86 2.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.1 mt -58.88 -18.89 37.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.4 p -66.0 147.81 52.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.455 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 97.2 t -115.0 124.88 29.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.62 0.724 . . . . 0.0 111.127 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.76 163.81 80.87 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.737 -1.776 . . . . 0.0 112.358 -0.07 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -78.29 134.13 37.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.1 tp -90.12 99.76 12.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -108.11 160.15 16.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -52.09 132.38 32.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.64 -43.81 1.41 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.33 102.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -71.81 119.76 16.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.86 116.43 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.77 HG12 ' HG ' ' A' ' 69' ' ' LEU . 59.7 t -95.52 -54.87 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.77 ' HG ' HG12 ' A' ' 68' ' ' VAL . 13.0 mt -140.25 140.57 35.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.578 HD12 HG21 ' A' ' 75' ' ' ILE . 60.9 mt -99.35 123.7 52.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.4 p30 43.38 34.71 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.28 44.76 12.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.445 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -135.81 144.84 45.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 110.872 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.89 110.91 18.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.717 ' O ' HD12 ' A' ' 75' ' ' ILE . 2.8 pp -126.53 32.41 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -88.97 -41.81 12.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.074 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -73.36 -30.41 63.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -65.38 144.38 57.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 80' ' ' HIS . 59.3 p -78.23 151.96 32.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.421 ' O ' HG23 ' A' ' 84' ' ' VAL . 44.4 t60 -36.66 -59.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -38.65 -61.59 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 83' ' ' VAL . 10.0 tm0? -49.01 -67.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 86' ' ' PHE . 58.1 t -37.18 -65.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 80' ' ' HIS . 69.2 t -35.96 -48.67 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.7 mp -70.27 -41.26 73.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 83' ' ' VAL . 3.1 t80 -44.87 -58.97 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.7 mt -54.34 -51.21 50.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -48.39 -48.0 37.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.98 -46.42 16.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.09 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.4 t -39.53 -54.71 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 44.6 t -40.63 -44.7 2.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -69.88 -58.67 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -60.57 121.16 11.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -89.73 96.23 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 80.2 p -124.29 -55.69 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.815 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.25 -126.42 0.88 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.532 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -107.41 170.77 7.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.381 . . . . 0.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.435 HD13 ' N ' ' A' ' 99' ' ' MET . 0.3 OUTLIER -85.23 118.88 25.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.435 ' N ' HD13 ' A' ' 98' ' ' LEU . 2.9 mtp -120.17 138.45 53.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.4 mt -136.39 132.71 35.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.6 tp -98.88 99.62 10.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 25.4 m -105.45 150.97 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -89.97 133.63 33.4 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.565 0.697 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 123.4 10.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 105' ' ' ASN . 11.5 p-10 -103.58 75.99 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -41.04 99.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.068 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 27.9 m -83.09 138.28 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -75.0 173.89 10.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -122.61 78.45 1.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.4 p -114.63 126.77 72.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 91.9 t -80.13 92.32 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -154.22 125.75 7.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -158.13 107.13 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 58.7 m -112.71 136.39 52.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -133.86 78.58 0.35 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 167.44 24.43 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 0.0 112.32 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 68.4 m -132.84 -50.22 0.89 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 11.7 t -45.81 141.78 2.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.829 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.502 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 m -136.82 136.51 38.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.6 m -122.17 130.27 53.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.55 96.29 0.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 m -135.44 175.16 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.36 . . . . 0.0 110.871 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.3 p -143.38 155.41 44.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.76 93.34 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -169.59 138.5 1.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.892 0.377 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 174.81 67.36 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -155.69 172.1 33.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.649 HG23 ' HD2' ' A' ' 12' ' ' PRO . 74.2 mt -124.07 138.64 31.05 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.595 0.712 . . . . 0.0 111.098 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 12' ' ' PRO . . . . . 0.649 ' HD2' HG23 ' A' ' 11' ' ' ILE . 53.9 Cg_endo -69.79 163.14 39.42 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -120.73 -51.51 2.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.46 108.11 19.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -75.7 88.94 2.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.8 mt -107.92 156.07 19.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.499 ' HB ' HG23 ' A' ' 102' ' ' VAL . 92.0 t -103.0 135.28 41.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.429 HD11 ' HB3' ' A' ' 99' ' ' MET . 12.9 tp -109.25 140.86 42.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.7 mm -114.77 107.18 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -104.47 129.04 52.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.11 164.31 36.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.72 152.58 45.64 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.587 0.708 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 125.65 12.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.377 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -54.34 177.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -46.2 -48.63 17.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -83.98 -25.58 29.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.28 -33.64 3.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.444 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -49.66 128.51 17.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.444 ' CE1' HD13 ' A' ' 98' ' ' LEU . 37.3 m-85 -78.33 -58.13 3.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.492 ' O ' HG13 ' A' ' 48' ' ' VAL . . . 122.01 46.54 0.3 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.475 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -163.32 143.6 8.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.917 0.389 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -115.75 168.37 10.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.1 m -136.12 157.41 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -147.21 166.32 27.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.22 -142.15 17.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.52 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 112.0 161.75 16.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.523 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -41.51 -34.42 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.885 0.374 . . . . 0.0 110.912 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -55.18 -44.65 75.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -100.02 29.07 4.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt 39.21 32.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 19.7 ptm -132.81 150.93 77.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 110.875 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 158.42 57.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.368 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.1 t -76.45 105.22 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 64' ' ' GLY . 14.1 mm -111.81 140.94 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.9 t -53.33 124.56 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -77.94 -63.94 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 16.7 tpt180 -146.13 151.71 38.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 30' ' ' GLY . 57.6 t -137.68 107.8 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.7 143.46 71.6 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.639 0.733 . . . . 0.0 111.086 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 168.85 20.4 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.54 30.05 76.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.4 p -122.26 154.2 61.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.717 . . . . 0.0 111.119 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 1.03 4.82 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.64 2.227 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.96 -20.65 16.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.425 ' OD1' ' NE ' ' A' ' 60' ' ' ARG . 7.6 t70 -99.07 -61.62 1.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.9 mt -49.25 -18.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 9.1 p -64.81 166.57 8.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.479 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 2.1 p -135.92 125.2 15.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.731 . . . . 0.0 111.169 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 54.1 Cg_endo -69.78 133.69 26.66 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.35 -0.026 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.425 ' NE ' ' OD1' ' A' ' 55' ' ' ASP . 36.7 ttt180 -54.76 133.23 47.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.5 tp -76.17 100.43 5.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -103.77 162.39 13.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -57.7 141.27 49.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.588 ' O ' HG23 ' A' ' 44' ' ' ILE . . . 111.65 -42.12 2.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -38.31 114.2 0.35 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.804 0.335 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -87.73 105.22 17.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.4 t -70.2 121.85 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.081 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.521 HG12 ' HG ' ' A' ' 69' ' ' LEU . 57.6 t -99.64 -46.07 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.521 ' HG ' HG12 ' A' ' 68' ' ' VAL . 76.1 mt -140.0 141.3 36.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.985 HD12 HG21 ' A' ' 75' ' ' ILE . 43.5 mt -105.95 102.66 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 m120 63.21 30.38 15.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.75 39.45 11.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.457 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -135.2 140.68 45.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.33 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.424 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 65.6 m-20 -67.63 115.36 7.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.985 HG21 HD12 ' A' ' 70' ' ' ILE . 2.5 pp -124.21 -10.63 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.1 -7.89 57.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -109.57 17.76 21.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 6.8 m80 -125.67 156.1 39.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 42.5 p -72.37 172.61 10.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.179 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -54.24 -52.73 60.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.92 -63.12 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -42.27 -61.09 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.1 t -44.76 -62.05 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.468 ' CG1' ' HD2' ' A' ' 88' ' ' LYS . 37.3 t -43.81 -56.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.31 -32.83 67.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -58.96 -48.87 79.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 9.8 mt -77.5 -49.41 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.109 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.468 ' HD2' ' CG1' ' A' ' 84' ' ' VAL . 29.9 mtpt -50.36 -51.3 47.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' LYS . . . -36.64 -47.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.2 t -41.28 -46.45 3.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 7.0 t -43.74 -52.6 6.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -92.66 40.63 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -160.61 112.15 1.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -67.95 107.12 2.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.2 t -111.01 -57.75 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 129.63 -60.3 0.68 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.438 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -143.13 145.3 32.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.863 HD21 HD21 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -118.48 142.38 47.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.953 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.429 ' HB3' HD11 ' A' ' 18' ' ' LEU . 3.7 mtt -129.39 141.35 51.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.863 HD21 HD21 ' A' ' 98' ' ' LEU . 8.6 mt -125.75 122.97 37.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.8 tp -90.0 102.98 15.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.499 HG23 ' HB ' ' A' ' 17' ' ' VAL . 14.1 m -106.86 155.19 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -97.8 135.91 21.37 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.563 0.697 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 138.14 37.1 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.373 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -87.4 -42.38 12.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -155.02 160.6 41.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.5 p -109.82 141.64 24.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -131.78 135.49 46.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -100.96 102.0 12.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.81 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 84.8 t -94.81 111.52 25.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.41 HG22 ' N ' ' A' ' 112' ' ' GLU . 10.6 p -108.22 155.37 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.41 ' N ' HG22 ' A' ' 111' ' ' VAL . 10.7 tp10 -98.29 108.81 21.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -52.5 -33.68 46.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.2 p -132.56 94.86 3.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.03 -76.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 145.25 56.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.328 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.2 p -86.67 116.62 24.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.5 t -126.56 -58.85 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -143.82 125.9 15.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.899 0.381 . . . . 0.0 110.859 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.5 t -124.64 125.31 43.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.45 -52.98 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 m -156.17 143.29 19.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.367 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 t -82.54 109.63 16.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.11 -158.25 18.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.441 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -115.39 -55.09 2.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.358 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.54 -49.17 25.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.443 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 51.28 77.72 0.12 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.4 pt -56.14 144.26 60.53 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.634 0.731 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 155.66 65.3 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.399 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -71.92 151.16 43.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.47 -63.44 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -51.31 -46.74 62.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.463 HD13 HD21 ' A' ' 101' ' ' LEU . 16.4 mt -92.64 145.46 24.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.476 HG13 ' HG3' ' A' ' 59' ' ' PRO . 96.5 t -88.32 117.37 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.763 HD11 ' CG ' ' A' ' 99' ' ' MET . 19.1 tp -93.95 142.11 27.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.3 mm -117.79 113.32 41.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -115.68 120.37 39.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.4 ptp -151.61 167.87 26.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -116.79 153.39 49.26 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.604 0.716 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 112.42 3.07 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -50.89 177.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -47.57 -54.46 11.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -84.77 29.37 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 45.21 48.86 10.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.525 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -126.48 113.58 17.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.357 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.464 ' CE1' HD22 ' A' ' 98' ' ' LEU . 38.7 m-85 -56.49 -56.79 16.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.404 ' O ' HG13 ' A' ' 48' ' ' VAL . . . 114.33 46.32 0.64 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -165.34 152.14 10.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -117.19 161.55 19.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.8 m -128.61 159.56 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -147.94 146.93 29.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.57 ' O ' HG22 ' A' ' 43' ' ' VAL . . . 89.89 163.41 39.18 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.5 165.94 27.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -42.66 -40.15 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.872 0.368 . . . . 0.0 110.923 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.21 -40.81 25.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 40' ' ' LYS . 30.6 mt-30 -106.55 35.35 3.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 39' ' ' GLN . 14.7 mmmt 34.41 41.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.3 ptm -141.52 153.12 65.12 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.482 0.658 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.523 ' HG2' HD11 ' A' ' 44' ' ' ILE . 53.8 Cg_endo -69.72 161.53 45.58 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.248 . . . . 0.0 112.324 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 35' ' ' GLY . 62.0 t -96.37 98.17 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.155 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.523 HD11 ' HG2' ' A' ' 42' ' ' PRO . 4.7 mp -107.01 144.81 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.3 t -50.32 136.96 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 t -93.36 -62.56 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.815 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 9.1 tpp180 -144.76 152.39 40.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.449 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 48.1 t -134.81 127.93 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.138 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.35 145.76 30.21 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.556 0.693 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 174.9 8.85 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.328 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.48 40.95 93.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.7 p -134.45 152.35 77.77 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.611 0.72 . . . . 0.0 111.075 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 2.75 3.26 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.65 2.234 . . . . 0.0 112.328 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -102.49 -19.73 14.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -98.39 -52.52 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.0 mt -58.67 -32.77 69.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 22.1 p -53.54 158.12 1.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.475 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 19.9 t -120.85 124.64 27.4 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.635 0.731 . . . . 0.0 111.086 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.476 ' HG3' HG13 ' A' ' 17' ' ' VAL . 53.1 Cg_endo -69.8 173.18 45.81 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.349 -0.031 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -85.7 119.63 26.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 33.9 tp -70.86 91.47 0.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -108.6 169.01 8.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -52.04 149.33 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.55 -44.15 1.53 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -44.37 106.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.748 0.308 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -85.98 114.65 23.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.3 t -69.08 127.16 30.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.581 HG12 ' HG ' ' A' ' 69' ' ' LEU . 39.5 t -105.13 -47.17 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.581 ' HG ' HG12 ' A' ' 68' ' ' VAL . 14.7 mt -149.92 146.55 27.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.642 ' CG1' HG21 ' A' ' 75' ' ' ILE . 7.3 mm -100.96 116.26 44.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 52.26 38.86 25.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 69.41 41.05 79.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.549 ' HD2' ' CZ ' ' A' ' 86' ' ' PHE . 23.4 ttm-85 -131.21 145.35 51.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.465 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 25.9 t0 -69.85 112.89 6.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.642 HG21 ' CG1' ' A' ' 70' ' ' ILE . 2.6 pp -120.97 -31.95 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.516 ' N ' HD12 ' A' ' 75' ' ' ILE . . . -51.93 -16.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -99.85 21.09 13.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -128.65 161.08 30.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 80' ' ' HIS . 80.7 p -77.19 149.16 35.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.44 ' CD2' HG23 ' A' ' 84' ' ' VAL . 10.9 t-160 -35.14 -60.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -39.72 -61.11 0.87 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -41.41 -52.68 3.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.8 t -54.15 -51.66 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.44 HG23 ' CD2' ' A' ' 80' ' ' HIS . 97.7 t -57.36 -43.62 82.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.46 -41.8 93.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.549 ' CZ ' ' HD2' ' A' ' 73' ' ' ARG . 6.3 t80 -60.64 -59.23 5.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 67.9 mt -43.13 -65.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 89' ' ' ALA . 45.7 mttm -52.79 -51.69 59.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 88' ' ' LYS . . . -34.24 -55.94 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 89' ' ' ALA . 7.7 t -34.96 -55.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 10.0 t -42.66 -51.79 5.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -67.75 -44.61 77.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 41.2 mtt-85 -47.52 -46.68 27.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.836 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -172.13 168.63 5.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.3 t -112.14 94.3 4.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -145.01 -79.65 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -166.58 165.94 16.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.564 HD21 HD21 ' A' ' 100' ' ' LEU . 16.7 tp -119.92 126.06 49.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.763 ' CG ' HD11 ' A' ' 18' ' ' LEU . 5.4 ttm -108.25 103.46 12.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.564 HD21 HD21 ' A' ' 98' ' ' LEU . 14.0 mt -102.46 153.56 19.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.463 HD21 HD13 ' A' ' 16' ' ' LEU . 14.2 tp -123.05 100.92 7.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.3 m -109.06 142.4 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.108 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -88.22 136.75 31.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.595 0.712 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 137.67 35.91 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.616 2.21 . . . . 0.0 112.337 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -117.09 96.66 5.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -83.84 23.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 91.7 t -109.71 111.4 35.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -129.07 174.82 9.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.69 155.11 25.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.821 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 97.1 t -117.16 103.93 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.5 p -109.77 147.64 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -152.29 150.28 29.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -172.96 107.63 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 82.7 p -125.25 165.49 18.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -157.78 145.02 11.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 176.41 6.82 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.659 2.239 . . . . 0.0 112.379 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 54.7 m -116.72 135.43 53.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.7 m -99.12 -52.33 3.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 -179.944 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -138.35 151.44 47.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -89.17 130.67 35.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.63 -168.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.516 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -143.09 156.49 44.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.5 p -79.07 146.31 33.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.56 -125.63 35.11 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.538 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -140.87 149.7 42.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.13 166.31 15.56 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.22 59.71 0.65 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.518 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.632 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -41.04 149.56 0.34 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.62 0.724 . . . . 0.0 111.136 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 138.35 37.55 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.308 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -132.82 162.21 32.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -80.94 96.35 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -49.62 -46.29 49.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.94 152.61 40.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.59 ' CG1' HG23 ' A' ' 102' ' ' VAL . 10.2 p -91.45 149.63 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.83 HD11 ' HG2' ' A' ' 99' ' ' MET . 9.1 tp -114.57 144.97 42.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.519 HD13 ' HG2' ' A' ' 59' ' ' PRO . 7.0 mm -116.73 123.68 71.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -121.64 136.98 54.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 21' ' ' MET . . . . . 0.527 ' HE1' HD12 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -162.8 156.42 20.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -118.05 149.53 45.71 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.629 0.728 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 149.31 66.72 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.2 -176.06 5.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.818 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -49.94 -53.12 28.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -67.01 -18.95 65.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.43 43.25 10.61 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.5 mtp85 -140.12 144.95 37.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.429 ' CE2' ' CD1' ' A' ' 98' ' ' LEU . 95.8 m-85 -96.42 -177.28 3.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.591 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -128.5 73.06 0.46 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.451 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 25.6 p90 -165.37 130.44 2.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.372 . . . . 0.0 110.903 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -107.71 158.2 17.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.8 m -132.93 166.63 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -151.42 134.28 15.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.713 ' O ' HG22 ' A' ' 43' ' ' VAL . . . 108.53 157.15 18.72 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.28 -159.46 18.76 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.436 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.448 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 35.6 t80 -79.15 -30.11 43.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.923 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.453 ' HB3' ' NE2' ' A' ' 39' ' ' GLN . 2.3 t70 -71.03 -38.23 72.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' A' ' 38' ' ' ASP . 19.8 mp0 -88.63 15.11 8.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.4 mttt 42.5 29.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.7 ptm -130.44 152.41 80.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.561 0.696 . . . . 0.0 110.869 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.44 ' HG2' ' CD1' ' A' ' 44' ' ' ILE . 53.9 Cg_endo -69.77 157.32 60.77 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.332 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.713 HG22 ' O ' ' A' ' 35' ' ' GLY . 60.5 t -91.61 99.85 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.44 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 4.2 mp -114.16 142.87 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 74.2 t -53.38 128.39 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.3 p -87.45 -63.77 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -138.72 149.63 45.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.1 t -135.77 119.38 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.07 146.21 48.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.576 0.703 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 177.91 5.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.736 2.291 . . . . 0.0 112.324 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.52 35.66 45.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.591 HG21 ' HA3' ' A' ' 30' ' ' GLY . 22.7 p -123.84 154.09 67.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.541 0.686 . . . . 0.0 111.151 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 2.45 3.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.378 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -110.97 -13.45 14.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -107.47 -8.82 16.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.0 mt -108.64 -29.19 8.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.1 p -54.1 155.6 3.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.456 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 38.3 t -117.84 124.72 28.56 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.721 . . . . 0.0 111.129 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.519 ' HG2' HD13 ' A' ' 19' ' ' ILE . 53.9 Cg_endo -69.75 169.6 62.51 Favored 'Cis proline' 0 C--N 1.341 0.152 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.328 -0.024 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -83.7 139.21 32.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 24.7 tp -86.29 84.4 7.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -85.84 150.33 24.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -50.32 137.95 17.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 66' ' ' GLN . . . 111.53 -34.39 5.29 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.429 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -51.99 90.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.794 0.331 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 64' ' ' GLY . 10.9 tt0 -64.43 122.71 17.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.4 t -80.99 127.3 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.1 t -102.14 -34.46 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 74' ' ' ASP . 72.1 mt -151.44 132.85 14.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 99.0 mt -104.61 105.54 18.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 61.96 40.06 12.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.841 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.57 46.82 82.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.592 ' O ' HG23 ' A' ' 75' ' ' ILE . 10.4 tpt180 -137.82 125.75 22.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.341 . . . . 0.0 110.836 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.459 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -61.95 88.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' ' 73' ' ' ARG . 1.9 pp -93.85 -15.74 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.29 -24.16 6.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.085 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 37' ' ' TYR . 8.4 mm-40 -95.72 -29.02 14.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -64.09 142.76 58.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.9 p -70.72 153.37 42.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.3 t-80 -47.49 -47.05 27.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.26 -61.94 1.92 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 83' ' ' VAL . 47.1 mm-40 -54.85 -63.9 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.479 HG22 ' HB ' ' A' ' 75' ' ' ILE . 31.5 t -36.15 -62.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.644 HG12 ' HE2' ' A' ' 88' ' ' LYS . 20.9 t -41.93 -47.44 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.5 mp -68.48 -46.98 68.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.451 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 5.6 t80 -42.59 -45.33 4.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 52.3 mt -61.18 -45.22 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.644 ' HE2' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -64.91 -25.6 67.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.823 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 86' ' ' PHE . . . -50.65 -38.97 49.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 89' ' ' ALA . 15.1 t -38.04 -53.04 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 52.8 t -41.4 -47.93 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -96.02 41.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.3 mmt85 -135.83 171.94 13.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -47.44 99.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.7 m -50.81 100.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -143.75 -75.06 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -172.63 167.18 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.905 0.383 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.462 HD21 HD21 ' A' ' 100' ' ' LEU . 1.2 tt -118.02 133.87 55.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.83 ' HG2' HD11 ' A' ' 18' ' ' LEU . 5.2 ttm -129.47 120.49 25.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.527 HD12 ' HE1' ' A' ' 21' ' ' MET . 5.7 mt -117.68 158.59 24.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 101' ' ' LEU . 8.9 tp -119.38 106.06 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.59 HG23 ' CG1' ' A' ' 17' ' ' VAL . 16.1 m -117.38 160.75 16.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -105.06 128.31 26.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.583 0.706 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 148.48 65.49 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.381 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -95.52 77.62 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.56 149.52 38.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.425 HG12 ' H ' ' A' ' 109' ' ' ASP . 2.9 t -116.22 141.73 32.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -67.68 -11.55 58.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.425 ' H ' HG12 ' A' ' 107' ' ' VAL . 4.7 t70 -63.65 132.43 51.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 110' ' ' VAL . 10.8 p -121.94 128.14 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.548 HG22 ' N ' ' A' ' 112' ' ' GLU . 12.6 p -137.45 161.3 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.548 ' N ' HG22 ' A' ' 111' ' ' VAL . 11.3 tt0 -136.69 132.49 34.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -93.76 -1.94 54.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.4 m -106.49 166.48 10.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.43 -168.35 16.83 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -9.46 26.18 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.8 t -51.42 155.45 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 81.1 p -76.28 -47.01 25.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 p -170.79 176.46 4.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 0.0 110.895 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -110.66 144.82 38.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.33 160.07 32.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -150.51 129.56 12.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.885 0.374 . . . . 0.0 110.9 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.4 m -117.56 108.35 15.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.28 68.53 3.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -118.4 160.55 21.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.84 -110.61 3.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.72 119.11 0.51 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.455 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.547 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -42.65 151.03 0.39 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.651 0.739 . . . . 0.0 111.137 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 174.62 9.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.256 . . . . 0.0 112.338 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.5 p80 -45.53 118.52 1.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.829 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -108.87 142.72 39.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -50.79 -50.5 55.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 mp -58.02 155.76 10.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.4 t -82.47 133.48 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.8 tp -110.94 141.29 44.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.409 HG13 HD13 ' A' ' 61' ' ' LEU . 35.5 mm -111.96 135.17 52.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -135.01 124.78 25.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.5 ptp -149.51 169.44 20.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.1 pttt -126.94 150.93 73.17 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.601 0.715 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 135.75 31.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.652 2.235 . . . . 0.0 112.324 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -69.58 176.82 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -46.82 -46.6 20.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -67.77 -27.29 66.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.75 41.04 5.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.467 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -135.27 148.08 49.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.585 ' CZ ' HD22 ' A' ' 98' ' ' LEU . 73.1 m-85 -87.9 -175.04 4.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -136.89 59.94 0.63 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -162.74 133.37 4.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.37 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -103.11 157.83 16.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.8 m -131.36 140.21 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -132.63 158.55 41.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.71 -145.4 17.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.09 171.07 23.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -42.45 -35.58 1.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.357 . . . . 0.0 110.913 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -46.29 -43.0 15.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 41' ' ' MET . 13.5 mm-40 -114.92 38.1 3.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 39' ' ' GLN . 11.9 mttp 35.31 31.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 39' ' ' GLN . 19.0 ptm -127.95 152.71 77.78 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.558 0.694 . . . . 0.0 110.898 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 150.05 67.69 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.311 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.3 t -70.15 96.37 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.5 mm -101.92 137.95 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.091 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 71.0 t -50.77 132.62 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.5 t -85.54 -63.32 1.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -146.03 159.42 43.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.8 t -131.97 125.96 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.409 ' HB3' HG21 ' A' ' 52' ' ' THR . . . -88.74 146.31 36.79 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.566 0.698 . . . . 0.0 111.133 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 163.95 36.39 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 50.03 39.77 34.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.409 HG21 ' HB3' ' A' ' 49' ' ' ALA . 33.1 p -113.52 153.73 45.69 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.567 0.699 . . . . 0.0 111.133 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 2.88 3.14 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.711 2.274 . . . . 0.0 112.345 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -107.24 -19.07 13.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.088 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -98.34 -52.64 3.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.3 mt -53.62 -34.0 56.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 14.4 p -64.61 166.2 8.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.674 HG23 ' HA ' ' A' ' 59' ' ' PRO . 4.5 p -134.97 137.57 27.49 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.578 0.704 . . . . 0.0 111.154 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.674 ' HA ' HG23 ' A' ' 58' ' ' VAL . 53.3 Cg_endo -69.77 133.16 24.6 Favored 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.342 0.003 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.401 ' N ' ' HA ' ' A' ' 58' ' ' VAL . 3.6 ttm105 -52.48 131.56 33.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.557 HD12 ' OD2' ' A' ' 65' ' ' ASP . 30.7 tp -79.29 89.37 4.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -94.75 150.94 19.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.1 mp0 -46.35 145.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 65' ' ' ASP . . . 109.29 -43.84 1.63 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.557 ' OD2' HD12 ' A' ' 61' ' ' LEU . 74.7 m-20 -38.09 122.15 1.01 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.774 0.321 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -89.79 109.26 20.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.4 t -77.9 110.75 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.595 HG12 ' HG ' ' A' ' 69' ' ' LEU . 92.6 t -88.81 -45.46 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.595 ' HG ' HG12 ' A' ' 68' ' ' VAL . 86.8 mt -148.17 149.57 32.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.69 HG23 HD23 ' A' ' 100' ' ' LEU . 70.1 mt -121.09 121.77 65.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m120 53.5 41.82 32.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.73 34.74 61.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.576 ' O ' HG23 ' A' ' 75' ' ' ILE . 8.6 mmm180 -129.05 119.84 24.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.329 . . . . 0.0 110.869 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.456 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 3.6 m-20 -47.07 119.35 2.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.576 HG23 ' O ' ' A' ' 73' ' ' ARG . 2.7 pp -115.37 -32.61 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.565 ' N ' HD12 ' A' ' 75' ' ' ILE . . . -45.92 -46.87 16.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -62.49 -30.63 71.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.522 ' CG ' ' HG2' ' A' ' 82' ' ' GLN . 5.1 m-70 -73.95 164.43 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' HIS . 14.0 p -102.8 152.16 21.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.171 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.4 ' C ' ' O ' ' A' ' 79' ' ' THR . 4.2 t-80 -37.33 -64.11 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -38.36 -38.74 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.522 ' HG2' ' CG ' ' A' ' 78' ' ' HIS . 26.7 tp60 -80.09 -57.78 3.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.3 t -41.21 -41.75 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.46 HG12 ' HE2' ' A' ' 88' ' ' LYS . 98.5 t -58.97 -57.83 9.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 86' ' ' PHE . 4.0 mp -60.68 -50.1 74.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 85' ' ' LEU . 22.1 t80 -37.89 -46.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 35.4 mt -68.0 -52.05 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.46 ' HE2' HG12 ' A' ' 84' ' ' VAL . 45.2 mtmt -51.93 -40.36 60.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 90' ' ' SER . . . -41.64 -42.93 2.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 89' ' ' ALA . 4.6 t -37.71 -38.48 0.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.816 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 92' ' ' GLU . 39.4 t -43.75 -46.99 7.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 93' ' ' ARG . 14.7 pt-20 -34.61 -36.65 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.47 ' N ' ' HG3' ' A' ' 92' ' ' GLU . 7.4 ptm180 -120.75 138.26 54.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -100.28 -52.32 3.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.802 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.2 m -59.19 89.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 158.97 -179.41 34.62 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -130.46 172.41 11.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.585 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 8.3 tp -114.94 131.34 56.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 9.7 mtt -119.22 134.11 55.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.69 HD23 HG23 ' A' ' 70' ' ' ILE . 6.6 mt -132.76 131.56 41.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.1 tp -98.77 104.35 16.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 17.3 m -108.52 158.12 8.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -95.03 134.21 25.09 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.617 0.722 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 131.24 20.85 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.722 2.282 . . . . 0.0 112.343 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -109.71 84.13 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.83 107.24 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.6 p -174.95 148.25 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -137.9 116.1 11.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -157.94 147.24 19.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 93.9 t -111.85 135.71 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.403 HG22 ' N ' ' A' ' 112' ' ' GLU . 14.5 p -152.82 154.0 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 112' ' ' GLU . . . . . 0.403 ' N ' HG22 ' A' ' 111' ' ' VAL . 2.2 tp10 -111.15 119.94 40.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -134.71 96.15 3.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 88.7 p -81.93 154.95 25.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.24 85.56 0.18 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.83 3.16 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.4 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 71.4 m -85.07 110.64 19.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.2 t -106.41 -61.31 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -130.07 170.37 14.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.873 0.368 . . . . 0.0 110.848 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -45.81 -46.83 15.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.93 163.02 10.99 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.486 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -141.86 153.69 44.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.876 0.369 . . . . 0.0 110.847 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.2 p -141.85 146.65 36.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.27 -89.17 1.87 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -127.14 -50.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.27 -71.67 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.0 131.39 2.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 33.6 mt -51.96 130.56 39.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 0.0 111.134 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 133.48 25.63 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -83.88 157.71 21.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -106.74 144.68 33.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -119.92 84.78 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.4 mt -106.03 158.16 17.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.3 t -85.25 139.87 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.2 tp -121.57 129.02 52.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.424 HD13 ' HG2' ' A' ' 59' ' ' PRO . 25.7 mm -92.82 119.87 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -117.87 132.37 56.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.37 159.14 16.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -112.96 144.47 31.14 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.701 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 125.01 11.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.738 2.292 . . . . 0.0 112.331 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' GLU . 1.2 p30 -58.02 179.53 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 25' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' ASP . 33.9 mp0 -34.53 -61.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -76.68 -27.34 55.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.34 42.27 8.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -105.38 84.82 2.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.47 ' CZ ' HD23 ' A' ' 98' ' ' LEU . 13.7 m-85 -53.33 125.06 16.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.527 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -82.5 71.0 3.06 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.472 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.496 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 1.8 p90 -160.77 125.53 3.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 8.5 t-20 -108.67 150.2 27.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.9 m -121.49 161.54 21.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -148.0 150.83 34.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.46 -156.13 18.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.75 160.26 10.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -44.79 -32.24 1.48 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.873 0.368 . . . . 0.0 110.927 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -57.35 -43.33 83.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' MET . 51.5 mm-40 -101.56 29.22 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' GLN . 0.2 OUTLIER 37.72 31.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 39' ' ' GLN . 9.5 ptm -132.15 153.54 81.35 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.574 0.702 . . . . 0.0 110.879 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.42 ' HG2' ' CD1' ' A' ' 44' ' ' ILE . 53.1 Cg_endo -69.8 152.29 69.04 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.669 2.246 . . . . 0.0 112.283 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.0 t -85.55 103.59 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.42 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 4.2 mp -118.23 139.65 44.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.5 t -50.33 111.66 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 t -61.46 -63.25 1.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -146.1 167.51 23.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 30' ' ' GLY . 42.7 t -140.79 131.0 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.52 145.77 34.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.568 0.699 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 160.91 47.97 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.262 . . . . 0.0 112.332 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.73 34.31 70.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.527 HG21 ' HA3' ' A' ' 30' ' ' GLY . 75.4 p -111.61 151.82 43.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.548 0.69 . . . . 0.0 111.151 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 1.66 4.21 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.317 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.34 -19.85 13.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.059 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -99.09 -45.03 6.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mt -59.31 -30.65 68.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.3 p -71.18 136.32 48.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.677 HG23 ' HA ' ' A' ' 59' ' ' PRO . 4.2 p -97.21 137.66 21.21 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.628 0.728 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.677 ' HA ' HG23 ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.7 138.22 47.78 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.371 -0.083 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -55.34 115.47 2.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.3 tp -64.64 100.42 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.415 ' O ' ' CG ' ' A' ' 65' ' ' ASP . 38.4 p30 -111.16 148.77 32.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -40.07 142.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.68 -43.35 1.71 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -47.39 100.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.714 0.292 . . . . 0.0 110.851 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -76.04 140.55 41.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.8 t -92.67 134.29 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.7 t -110.63 -39.78 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.416 ' CD2' ' HA ' ' A' ' 74' ' ' ASP . 95.3 mt -152.59 148.04 26.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.876 HD12 HG21 ' A' ' 75' ' ' ILE . 70.8 mt -113.85 117.1 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 52.58 34.09 14.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.05 42.63 58.71 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.8 ttt-85 -136.98 139.33 41.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.416 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 8.0 t70 -74.22 102.18 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.876 HG21 HD12 ' A' ' 70' ' ' ILE . 2.2 pp -105.6 15.48 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.99 -40.64 31.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -66.93 -31.25 71.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -71.61 164.16 26.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 67.5 p -102.93 159.66 15.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.493 ' O ' HG23 ' A' ' 84' ' ' VAL . 79.6 t60 -44.05 -58.98 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.765 ' O ' HD13 ' A' ' 85' ' ' LEU . 13.7 m-20 -40.03 -35.01 0.33 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 2.7 tp-100 -84.94 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.3 t -38.81 -39.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 80' ' ' HIS . 96.0 t -61.37 -49.42 84.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.765 HD13 ' O ' ' A' ' 81' ' ' ASP . 10.9 mp -64.94 -48.01 75.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.409 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 2.5 t80 -40.06 -64.68 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 23.4 mt -53.31 -47.17 57.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -55.21 -38.07 67.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 86' ' ' PHE . . . -49.36 -22.97 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 t -58.23 -38.73 77.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.4 p -46.19 -31.38 2.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -121.19 83.92 2.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -140.32 163.94 31.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -71.47 -56.93 4.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 m -172.06 134.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 172.88 -171.6 44.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.455 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -135.62 138.47 42.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.944 0.402 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.47 HD23 ' CZ ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -75.26 108.13 7.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.7 mtt -116.26 141.31 48.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.3 mt -138.91 132.89 31.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.0 tp -95.72 100.23 11.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.2 m -103.42 153.08 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -101.7 133.41 20.8 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.543 0.687 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 122.48 9.17 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -100.58 81.55 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -162.12 141.64 9.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.6 m -68.39 -179.05 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.508 ' O ' ' CD1' ' A' ' 108' ' ' TYR . 13.4 p90 -138.43 125.53 21.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -170.16 160.18 7.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.4 p -94.97 146.14 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.3 p -58.45 137.73 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.129 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -129.07 136.74 50.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -167.12 106.31 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.2 t -67.02 162.36 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 148.19 147.65 4.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.445 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.58 33.99 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.313 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.4 m -76.43 136.73 39.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 t -90.52 -61.42 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 p -165.69 141.13 4.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.85 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -99.59 93.83 6.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.05 146.3 14.39 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.525 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.5 p -132.19 42.68 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.888 0.375 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t 70.21 41.66 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.37 157.09 33.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.532 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -117.89 117.13 28.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.29 -175.72 3.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.92 76.48 0.13 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.47 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.0 pt -56.36 140.96 71.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.602 0.715 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 91.29 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.351 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -40.21 108.21 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -47.8 139.69 7.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -97.09 -45.83 6.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -58.46 150.24 23.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.465 HG13 ' HG3' ' A' ' 59' ' ' PRO . 70.9 t -85.2 117.36 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 tp -97.52 121.17 39.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.9 mm -88.57 138.04 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 20' ' ' ARG . 24.1 mtm105 -137.5 122.92 19.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.11 172.93 16.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -122.94 152.71 63.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.523 0.677 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 124.02 10.68 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -47.97 170.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -50.53 -42.25 54.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -84.47 20.31 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 44.04 57.44 4.81 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -147.51 128.53 14.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.819 0.342 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.437 ' CE1' HD22 ' A' ' 98' ' ' LEU . 97.6 m-85 -81.55 -176.98 6.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -142.41 74.55 0.34 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -162.8 127.79 3.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.379 . . . . 0.0 110.929 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 46' ' ' SER . 7.9 m120 -96.63 133.91 40.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.4 m -115.91 163.96 12.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -143.48 149.77 38.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.42 178.14 31.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.532 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 152.22 166.44 14.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -45.72 -33.56 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.948 0.404 . . . . 0.0 110.963 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.48 -45.11 73.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.841 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 40' ' ' LYS . 10.3 mm-40 -104.43 27.98 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' GLN . 0.6 OUTLIER 35.37 43.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.0 ptm -134.98 152.72 77.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.543 0.687 . . . . 0.0 110.886 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.58 ' HG2' HD11 ' A' ' 44' ' ' ILE . 53.6 Cg_endo -69.75 152.3 69.33 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.229 . . . . 0.0 112.311 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.438 ' C ' HD12 ' A' ' 44' ' ' ILE . 25.1 t -85.23 112.12 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.14 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.58 HD11 ' HG2' ' A' ' 42' ' ' PRO . 3.9 mp -122.04 136.74 57.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.694 HG23 ' OD1' ' A' ' 65' ' ' ASP . 18.6 t -57.9 110.78 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 32' ' ' ASN . 5.9 t -63.86 -69.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -130.15 158.5 39.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.72 118.1 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.15 145.94 53.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.589 0.709 . . . . 0.0 111.076 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 161.03 47.51 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.269 . . . . 0.0 112.346 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.04 38.73 96.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.508 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.4 p -122.06 152.4 59.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.59 0.709 . . . . 0.0 111.13 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.95 3.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -100.67 -18.42 16.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.45 ' OD1' ' CG ' ' A' ' 60' ' ' ARG . 3.9 t70 -101.08 -63.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.5 mt -45.38 -32.73 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.9 p -60.78 162.23 7.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.439 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 85.2 t -124.86 124.39 25.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.655 0.74 . . . . 0.0 111.103 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.465 ' HG3' HG13 ' A' ' 17' ' ' VAL . 53.5 Cg_endo -69.79 168.01 69.11 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.357 -0.05 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.45 ' CG ' ' OD1' ' A' ' 55' ' ' ASP . 20.0 ttp180 -86.73 120.43 28.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.43 HD21 HG21 ' A' ' 45' ' ' VAL . 11.0 tp -64.19 112.62 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.402 ' CB ' HH21 ' A' ' 60' ' ' ARG . 4.6 p30 -117.51 167.61 11.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -61.15 133.28 55.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.49 -32.12 4.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.694 ' OD1' HG23 ' A' ' 45' ' ' VAL . 2.6 p30 -50.72 129.8 23.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.767 0.318 . . . . 0.0 110.832 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -107.64 104.39 13.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.2 t -68.58 128.71 32.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.5 t -112.68 -45.91 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.7 mt -139.64 131.12 27.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.833 HD12 HG21 ' A' ' 75' ' ' ILE . 92.1 mt -103.1 106.36 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.3 m120 58.71 32.67 22.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 76.28 44.02 18.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -138.31 134.26 34.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.853 0.358 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -72.1 92.07 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.833 HG21 HD12 ' A' ' 70' ' ' ILE . 2.3 pp -93.72 4.68 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.75 -45.98 63.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -63.83 -30.99 72.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -70.94 143.29 50.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.817 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.401 ' O ' HG23 ' A' ' 83' ' ' VAL . 43.1 p -75.97 170.77 15.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -51.87 -54.56 27.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -52.8 -46.87 67.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 83' ' ' VAL . 11.5 mm100 -59.85 -61.84 2.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 82' ' ' GLN . 69.9 t -36.65 -65.66 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' VAL . 95.8 t -36.19 -56.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.26 -47.42 84.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -42.13 -47.46 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 21.2 mt -56.81 -51.6 65.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -45.71 -42.76 12.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -42.64 -55.63 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 m -45.2 -47.68 12.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 41.8 t -53.31 -52.64 58.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -38.64 -60.65 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -52.93 -55.18 25.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 59.43 41.28 19.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.7 m -93.22 -48.14 6.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -128.98 -155.23 8.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.54 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -98.59 174.35 6.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 0.0 110.91 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.449 HD21 HD21 ' A' ' 100' ' ' LEU . 2.5 tp -93.63 146.62 23.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 6.3 mtt -136.6 107.91 6.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.449 HD21 HD21 ' A' ' 98' ' ' LEU . 5.5 mt -112.96 113.81 26.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 23.9 tp -83.12 101.64 11.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 33.2 m -106.77 157.28 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 57.1 ttt-85 -99.71 129.58 28.47 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.61 0.719 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 131.26 20.86 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.393 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' ASN . . . . . 0.815 ' O ' HG23 ' A' ' 107' ' ' VAL . 60.6 t30 -114.7 85.86 2.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 105' ' ' ASN . . . -35.69 121.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 105' ' ' ASN . 94.9 t -126.3 111.73 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -107.89 149.55 28.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -165.3 177.41 7.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 92.0 t -129.55 143.89 39.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 74.9 t -101.38 137.45 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -114.56 107.62 15.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -174.6 113.14 0.16 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.6 m -104.54 113.76 27.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -130.75 169.7 21.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.477 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 139.89 41.3 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.3 t -77.98 -52.14 9.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.7 m -84.63 138.47 32.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t 68.2 42.43 1.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.849 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.8 m -89.53 82.18 6.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.7 161.72 28.58 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 p -119.76 140.41 50.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.85 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.1 p -145.25 153.32 41.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.53 164.89 38.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -146.48 163.83 34.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.367 . . . . 0.0 110.889 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 176.81 173.25 42.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.87 55.27 0.19 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.7 mm -91.56 129.88 41.21 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.597 0.713 . . . . 0.0 111.153 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 149.51 66.54 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.679 2.252 . . . . 0.0 112.323 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -47.71 98.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ASP . . . . . 0.469 ' HB3' HD23 ' A' ' 16' ' ' LEU . 6.8 m-20 -158.17 174.74 14.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -122.26 44.86 2.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.469 HD23 ' HB3' ' A' ' 14' ' ' ASP . 4.2 mm? -80.99 153.17 27.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.5 t -99.34 145.69 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 100' ' ' LEU . 4.5 tp -125.99 131.58 52.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.3 mm -99.15 109.89 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -102.79 122.54 44.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -155.64 175.77 13.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -130.6 151.38 78.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.589 0.709 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 161.78 44.61 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -87.2 -177.61 6.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -62.75 -8.13 6.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -120.05 23.4 11.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.66 49.01 22.55 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -130.34 155.6 46.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.379 . . . . 0.0 110.828 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.526 ' CE2' HD22 ' A' ' 98' ' ' LEU . 96.6 m-85 -114.74 179.17 4.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -123.38 58.63 0.62 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -166.31 133.3 2.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -104.28 167.7 9.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.9 m -141.51 157.06 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -147.06 158.29 43.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.99 -151.89 19.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.61 169.58 15.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -43.76 -27.66 0.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -54.52 -44.39 72.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 41' ' ' MET . 40.1 mm-40 -114.39 28.33 8.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' GLN . 31.8 mttt 37.86 31.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 39' ' ' GLN . 15.4 ptm -117.8 152.17 49.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.576 0.703 . . . . 0.0 110.89 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 147.64 63.61 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.694 2.263 . . . . 0.0 112.354 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.466 HG21 HD13 ' A' ' 75' ' ' ILE . 58.2 t -72.34 101.53 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.8 mm -110.26 138.05 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.1 t -50.23 134.31 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.7 t -88.87 -60.49 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 15.2 tpp180 -146.18 152.61 39.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.441 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 25.0 t -138.36 125.19 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.169 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.87 152.57 39.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.576 0.703 . . . . 0.0 111.156 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.401 ' O ' HG23 ' A' ' 52' ' ' THR . 53.5 Cg_endo -69.74 173.38 11.04 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.303 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 45.91 42.31 11.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.443 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 50' ' ' PRO . 16.6 p -117.48 154.95 50.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.539 0.685 . . . . 0.0 111.147 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -0.62 7.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.626 2.217 . . . . 0.0 112.371 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -107.32 -27.12 10.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -91.19 -53.0 4.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 mt -52.36 -38.26 58.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 16.4 p -62.08 158.6 16.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.575 HG13 ' HA ' ' A' ' 59' ' ' PRO . 94.9 t -120.31 135.33 24.41 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.586 0.707 . . . . 0.0 111.183 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.575 ' HA ' HG13 ' A' ' 58' ' ' VAL . 53.4 Cg_endo -69.79 143.52 74.15 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.308 0.001 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -59.07 121.85 12.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 29.0 tp -72.18 104.77 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -115.04 166.59 11.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -56.43 148.62 18.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.24 -41.54 2.12 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.445 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -42.75 117.24 1.0 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.75 0.31 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -91.79 108.2 19.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.3 105.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.089 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.3 t -76.74 -46.6 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' A' ' 74' ' ' ASP . 78.2 mt -153.48 139.29 18.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.732 HD12 HG21 ' A' ' 75' ' ' ILE . 50.0 mt -107.79 123.51 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.149 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 53.56 33.1 15.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.58 33.56 87.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.514 ' O ' HG23 ' A' ' 75' ' ' ILE . 47.3 mtp180 -130.55 132.92 45.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.917 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.458 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 9.6 p-10 -57.4 115.12 2.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.732 HG21 HD12 ' A' ' 70' ' ' ILE . 2.5 pp -117.1 -14.86 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.16 -12.09 61.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -102.94 -5.18 23.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -99.39 163.25 12.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.7 p -82.22 159.36 23.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -43.76 -60.36 1.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -47.62 -53.27 15.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 38.2 mt-30 -49.84 -44.37 49.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.23 -46.94 91.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 89.9 t -60.43 -43.69 94.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.63 -36.56 78.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.488 ' CE1' ' HD3' ' A' ' 73' ' ' ARG . 86.3 t80 -60.45 -58.28 9.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 71.0 mt -48.7 -36.03 7.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -67.17 -41.3 86.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -38.85 -37.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.5 t -46.11 -51.18 14.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 71.0 m -55.74 -44.79 77.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -65.17 -68.53 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -56.67 174.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.429 ' O ' ' CG ' ' A' ' 94' ' ' HIS . 4.1 t-80 -92.25 86.58 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.9 t -119.05 147.86 43.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -87.39 -51.56 3.27 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -144.83 163.79 33.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.526 HD22 ' CE2' ' A' ' 29' ' ' PHE . 14.0 tp -86.21 132.51 33.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 4.0 mtt -116.71 108.88 16.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.471 ' O ' HD12 ' A' ' 18' ' ' LEU . 8.5 mt -115.75 141.27 48.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.9 tp -113.54 101.49 9.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.9 m -106.6 156.29 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -91.07 135.38 28.57 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.639 0.733 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 122.92 9.6 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -120.27 83.7 2.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.47 21.74 2.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 107' ' ' VAL . . . . . 0.482 ' O ' HG13 ' A' ' 107' ' ' VAL . 14.4 p -118.48 124.09 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.18 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -167.21 164.36 15.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -101.77 135.55 43.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 87.3 t -75.57 140.58 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.5 p -102.21 145.35 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -136.1 132.69 36.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -155.47 105.93 2.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 97.0 p -113.88 146.37 40.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -160.08 83.28 0.13 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 134.65 28.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.345 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.8 t -140.93 -176.51 4.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.9 m -163.21 175.12 11.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 m -127.51 172.63 10.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -171.8 163.49 6.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.78 131.71 2.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -126.18 177.51 6.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -140.3 110.25 6.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.823 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.47 49.8 1.46 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.496 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -150.59 145.99 26.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.383 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.94 108.12 0.29 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.451 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.79 108.71 3.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.57 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -53.24 150.41 11.44 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.635 0.731 . . . . 0.0 111.118 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 177.76 5.28 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.34 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -140.25 110.52 6.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -141.57 145.23 34.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -90.3 -52.98 4.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.477 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -65.32 144.84 56.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.3 t -87.42 140.75 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 tp -114.18 134.28 55.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.1 mm -106.81 113.61 43.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.3 mtm105 -111.48 126.05 54.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.84 173.15 17.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 22' ' ' LYS . . . . . 0.419 ' C ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -119.83 152.54 53.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.64 0.733 . . . . 0.0 110.881 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 135.07 29.45 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -51.98 175.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -52.25 -46.11 65.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -78.87 -28.17 44.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.09 52.95 0.91 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 mtp-105 -144.52 141.01 29.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.798 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -90.88 -177.14 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.597 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -135.25 67.61 0.55 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.515 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -158.39 130.15 6.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -101.02 151.16 22.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.7 m -131.59 154.23 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.196 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.0 pttt -137.48 140.69 41.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.401 ' HA2' ' CG ' ' A' ' 41' ' ' MET . . . 118.7 -172.1 14.39 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.506 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.76 166.25 10.62 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.527 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -48.93 -31.58 7.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.875 0.369 . . . . 0.0 110.905 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -62.52 -44.37 96.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' LYS . 13.9 mt-30 -97.59 18.56 15.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' GLN . 4.8 mmmm 36.01 36.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.401 ' CG ' ' HA2' ' A' ' 35' ' ' GLY . 12.9 ptm -128.33 153.07 78.96 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.592 0.71 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 156.86 62.3 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.735 2.29 . . . . 0.0 112.382 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.71 115.74 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.1 mp -134.07 134.67 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.17 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.9 t -51.58 128.42 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.3 t -88.57 -52.12 5.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -144.61 157.74 44.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.455 HG21 ' HA ' ' A' ' 62' ' ' ASN . 61.8 t -137.96 113.37 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.59 148.32 61.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.521 0.677 . . . . 0.0 111.113 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 176.19 7.14 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 55.01 32.44 56.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.597 HG21 ' HA3' ' A' ' 30' ' ' GLY . 31.6 p -121.22 153.89 58.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.593 0.711 . . . . 0.0 111.16 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -0.81 7.49 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.267 . . . . 0.0 112.314 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -96.12 -22.08 17.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.422 ' CG ' ' HG3' ' A' ' 60' ' ' ARG . 2.6 t70 -96.75 -64.95 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.4 mt -44.43 -42.01 6.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 13.7 p -53.71 153.85 4.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.476 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 97.8 t -115.94 124.71 29.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.609 0.719 . . . . 0.0 111.099 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.476 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.73 172.27 49.67 Favored 'Cis proline' 0 C--O 1.231 0.141 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.299 -0.076 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.422 ' HG3' ' CG ' ' A' ' 55' ' ' ASP . 19.6 ttp180 -89.08 114.37 25.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.5 tp -60.03 127.37 31.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.455 ' HA ' HG21 ' A' ' 48' ' ' VAL . 5.2 p30 -141.3 169.22 18.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 12.3 mp0 -56.15 147.2 21.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 66' ' ' GLN . . . 103.96 -43.76 1.61 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -51.27 91.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.742 0.306 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 64' ' ' GLY . 36.8 tt0 -66.18 129.64 40.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.5 t -85.19 107.84 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.549 HG12 ' HG ' ' A' ' 69' ' ' LEU . 57.0 t -85.65 -40.48 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.549 ' HG ' HG12 ' A' ' 68' ' ' VAL . 63.2 mt -153.96 137.56 16.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.7 mt -104.73 116.55 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 62.87 29.18 16.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.01 30.23 68.05 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.8 mtt85 -129.69 150.67 50.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -77.46 126.94 31.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.4 pp -129.99 -5.76 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.41 -44.22 72.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -60.67 -28.51 68.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -71.33 152.51 43.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.5 p -93.79 167.25 11.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.789 ' O ' HG23 ' A' ' 84' ' ' VAL . 11.7 t60 -42.49 -55.24 3.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -52.22 -52.88 49.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 85' ' ' LEU . 34.2 mt-30 -58.33 -67.88 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.699 ' O ' HD12 ' A' ' 87' ' ' ILE . 24.1 t -35.94 -46.86 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 80' ' ' HIS . 85.6 t -57.32 -45.87 85.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 82' ' ' GLN . 12.9 mt -69.75 -27.1 64.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -57.04 -57.94 10.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.708 ' H ' HD12 ' A' ' 87' ' ' ILE . 5.0 mp -64.39 -49.41 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt -46.54 -44.18 17.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.38 -31.53 22.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.8 t -38.49 -34.18 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 3.5 t -53.96 -53.53 51.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -96.82 66.24 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 93' ' ' ARG . 5.5 mmm180 -140.11 134.68 31.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -39.42 -49.76 2.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.1 m -73.06 174.39 7.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.835 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -129.09 -65.61 0.11 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -62.14 120.11 10.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.859 0.361 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.742 HD21 ' CD2' ' A' ' 100' ' ' LEU . 1.4 tt -98.47 154.62 17.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.648 ' N ' HD23 ' A' ' 98' ' ' LEU . 3.8 mtp -129.19 149.1 51.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.742 ' CD2' HD21 ' A' ' 98' ' ' LEU . 22.6 mt -132.94 120.91 22.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.6 tp -91.75 99.93 12.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.8 m -106.12 171.79 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.451 ' CD ' ' HD2' ' A' ' 104' ' ' PRO . 0.5 OUTLIER -108.25 137.43 19.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.619 0.723 . . . . 0.0 110.866 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.451 ' HD2' ' CD ' ' A' ' 103' ' ' ARG . 53.9 Cg_endo -69.74 142.58 48.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.369 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -87.77 -56.67 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -156.56 158.58 37.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.0 t -89.48 123.46 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -145.86 154.68 42.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.442 ' OD2' HG23 ' A' ' 111' ' ' VAL . 8.2 t70 -119.97 121.11 38.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.861 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 96.1 t -114.15 88.0 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.084 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 111' ' ' VAL . . . . . 0.442 HG23 ' OD2' ' A' ' 109' ' ' ASP . 87.9 t -94.39 98.31 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.122 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -109.67 152.87 25.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -132.26 88.48 2.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.1 m -130.38 166.41 20.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -168.33 136.29 4.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 172.76 12.03 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.36 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 29.7 m -151.56 144.96 24.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.4 m -130.65 140.95 50.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.457 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -150.51 149.66 30.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.871 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -67.53 146.24 54.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.18 81.63 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -142.41 141.47 32.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 110.82 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.1 p -105.91 118.63 37.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.41 74.89 0.2 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -140.35 136.09 32.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 110.848 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.27 101.06 0.28 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 140.18 134.05 3.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.9 mm -120.26 134.33 24.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.645 0.736 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 134.9 29.05 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.325 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -69.61 104.83 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -80.78 45.95 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -67.37 -43.78 80.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 mt -69.97 151.44 45.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 81.5 t -95.97 128.99 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.859 HD21 ' HE ' ' A' ' 20' ' ' ARG . 17.3 tp -107.13 138.68 42.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.423 HD13 ' HG2' ' A' ' 59' ' ' PRO . 15.9 mm -109.5 116.29 51.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.859 ' HE ' HD21 ' A' ' 18' ' ' LEU . 40.0 mtt180 -120.25 115.6 23.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.89 171.35 14.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm -122.77 152.91 63.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.71 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 122.51 9.2 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.727 2.285 . . . . 0.0 112.362 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -55.85 -177.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -55.92 -37.25 68.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 27' ' ' GLY . 3.9 m-20 -85.46 27.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 27' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 26' ' ' ASN . . . 34.79 51.0 0.79 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.482 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.1 144.93 26.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.898 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -96.62 164.56 12.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -110.66 68.72 0.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.459 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 9.0 p90 -166.1 121.86 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -101.18 158.73 15.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' VAL . . . . . 0.438 ' HB ' ' CG1' ' A' ' 43' ' ' VAL . 32.2 m -127.25 168.08 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' NZ ' ' O ' ' A' ' 45' ' ' VAL . 22.4 pttm -145.39 148.76 33.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.04 -152.48 19.0 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.478 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.28 161.82 11.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.513 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -45.63 -26.23 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.916 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -62.21 -40.27 95.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' LYS . 6.8 mt-30 -106.49 28.0 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 40' ' ' LYS . 2.1 mptt 36.43 42.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 17.7 ptm -138.08 152.75 72.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.538 0.685 . . . . 0.0 110.885 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.653 ' HG2' HD11 ' A' ' 44' ' ' ILE . 53.2 Cg_endo -69.81 154.32 67.68 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.744 2.296 . . . . 0.0 112.329 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.438 ' CG1' ' HB ' ' A' ' 33' ' ' VAL . 21.2 t -84.9 113.32 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.653 HD11 ' HG2' ' A' ' 42' ' ' PRO . 5.4 mp -125.95 144.05 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.403 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . 97.5 t -54.53 141.89 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.5 p -103.88 -53.81 2.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -141.66 153.86 44.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.456 HG21 ' HA ' ' A' ' 62' ' ' ASN . 61.7 t -139.75 106.9 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.45 147.91 76.27 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.608 0.718 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 171.54 14.31 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.34 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 54.94 33.69 57.06 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.8 p -118.98 153.73 52.87 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.572 0.701 . . . . 0.0 111.143 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 2.85 3.14 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -100.4 -19.02 16.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 55' ' ' ASP . . . . . 0.443 ' OD1' ' CG ' ' A' ' 60' ' ' ARG . 3.6 t70 -102.13 -63.15 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.4 mt -46.36 -31.44 2.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.6 p -58.96 162.15 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.45 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 24.2 t -123.47 121.57 26.79 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.738 . . . . 0.0 111.123 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.72 174.56 39.95 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.332 -0.057 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ARG . . . . . 0.443 ' CG ' ' OD1' ' A' ' 55' ' ' ASP . 20.5 ttp180 -90.39 120.82 31.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.506 HD23 ' CB ' ' A' ' 31' ' ' PHE . 15.6 tp -69.19 127.14 32.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.529 ' CG ' ' N ' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -141.36 169.73 17.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.529 ' N ' ' CG ' ' A' ' 62' ' ' ASN . 27.9 mt-10 -58.56 152.8 17.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.53 -41.48 2.23 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -52.85 114.62 1.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.743 0.306 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -90.04 126.81 35.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.9 t -84.62 122.35 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.596 HG12 ' HG ' ' A' ' 69' ' ' LEU . 40.7 t -90.52 -52.07 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.596 ' HG ' HG12 ' A' ' 68' ' ' VAL . 9.8 mt -142.15 157.36 44.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.852 HD12 HG21 ' A' ' 75' ' ' ILE . 74.8 mt -127.73 123.58 61.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.6 m120 59.93 27.1 16.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.89 -15.58 36.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.455 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 52.3 mtt85 -91.99 144.18 25.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -73.82 122.3 22.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.852 HG21 HD12 ' A' ' 70' ' ' ILE . 2.5 pp -104.54 -31.86 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.558 ' N ' HD12 ' A' ' 75' ' ' ILE . . . -48.07 -27.93 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -76.51 -31.39 57.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.412 ' HB3' ' CB ' ' A' ' 82' ' ' GLN . 9.9 m80 -80.28 147.87 30.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.7 p -75.88 161.69 28.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -40.19 -57.3 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -46.01 -48.41 16.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.412 ' CB ' ' HB3' ' A' ' 78' ' ' HIS . 0.0 OUTLIER -65.26 -55.02 20.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.5 t -50.08 -61.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.5 t -44.53 -59.54 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.1 mt -57.5 -35.38 70.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -57.2 -46.31 82.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.1 mt -58.78 -59.16 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 89' ' ' ALA . 54.2 mttm -51.54 -52.79 44.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 88' ' ' LYS . . . -34.62 -53.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.061 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 89' ' ' ALA . 5.2 t -36.51 -51.44 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 23.1 t -49.84 -53.91 22.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -90.11 46.46 1.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 94' ' ' HIS . 46.2 ttt-85 -137.26 153.31 50.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.433 ' N ' ' HG2' ' A' ' 93' ' ' ARG . 3.4 t-160 -46.72 169.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 94' ' ' HIS . 74.2 p -35.54 119.81 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 175.53 88.6 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.13 168.2 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.371 . . . . 0.0 110.927 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.75 111.64 20.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.682 ' HG3' HD11 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -111.77 140.61 46.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.866 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.43 ' HG ' ' C ' ' A' ' 99' ' ' MET . 4.8 mt -147.52 115.63 6.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.5 tp -90.49 104.97 17.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.0 m -107.53 149.76 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -91.36 134.9 28.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 141.99 46.76 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.389 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -115.54 84.84 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -96.03 96.32 8.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.3 m -65.32 159.18 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -90.54 50.52 1.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -134.02 154.55 51.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.843 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 89.1 t -81.74 143.64 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 91.3 t -120.46 108.93 24.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -112.1 117.74 33.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -170.45 107.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 92.8 p -106.21 152.99 22.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -164.75 78.9 0.13 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 134.58 28.34 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.689 2.259 . . . . 0.0 112.362 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 117' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 118' ' ' SER . 47.0 p -40.02 106.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.836 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 118' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 117' ' ' SER . 43.2 m -36.19 140.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.516 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -104.6 84.22 2.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 p -94.18 -47.9 6.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.12 114.89 0.63 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.5 p -127.4 138.47 53.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.855 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 m -126.69 153.37 45.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.16 83.54 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -145.57 154.75 42.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.906 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.41 58.49 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 40.98 73.31 0.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.503 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -52.13 145.07 19.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.637 0.732 . . . . 0.0 111.092 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 144.62 54.48 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.378 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -95.71 25.19 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.827 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -61.12 125.36 23.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -84.69 56.02 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.625 HD21 ' HG3' ' A' ' 103' ' ' ARG . 15.9 mt -64.67 153.35 39.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.6 p -83.29 156.24 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.0 tp -125.1 123.55 39.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.9 mm -91.79 103.65 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -105.14 119.59 39.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.1 ptp -143.78 176.53 9.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -129.03 145.68 57.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 155.69 65.47 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.262 . . . . 0.0 112.367 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 28' ' ' ARG . 0.4 OUTLIER -87.42 179.68 6.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -43.94 -61.83 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -66.43 -26.28 67.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.89 1.19 55.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' ARG . . . . . 0.448 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 9.5 ptm180 -82.87 140.47 32.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -97.85 170.91 8.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.596 ' O ' HG13 ' A' ' 48' ' ' VAL . . . -116.38 64.19 0.34 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.477 ' CZ ' HD13 ' A' ' 87' ' ' ILE . 4.1 p90 -166.11 134.69 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.357 . . . . 0.0 110.839 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -111.64 159.19 18.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.68 161.77 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.7 pttt -141.04 141.12 34.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.73 174.01 17.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 162.69 -170.48 38.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 2.7 t80 -73.87 -20.35 60.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.902 0.382 . . . . 0.0 110.923 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 38' ' ' ASP . . . . . 0.417 ' C ' ' OD1' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -74.3 -33.44 63.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 40' ' ' LYS . 22.9 mm-40 -108.15 16.99 22.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' GLN . 9.1 mptt 35.22 50.36 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.9 ptm -138.86 152.66 70.85 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.552 0.691 . . . . 0.0 110.885 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.568 ' O ' HD12 ' A' ' 44' ' ' ILE . 52.8 Cg_endo -69.81 149.77 66.99 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.65 2.234 . . . . 0.0 112.286 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.513 ' C ' HD12 ' A' ' 44' ' ' ILE . 40.8 t -84.33 116.71 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.568 HD12 ' O ' ' A' ' 42' ' ' PRO . 4.0 mp -128.5 146.81 33.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.534 HG21 ' HG ' ' A' ' 61' ' ' LEU . 77.2 t -59.52 129.17 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 t -90.98 -60.94 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -140.41 152.26 45.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 30' ' ' GLY . 20.9 t -138.68 113.86 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.67 150.06 72.23 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 111.097 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 174.59 9.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.712 2.275 . . . . 0.0 112.364 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 49.26 46.14 35.02 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.486 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.47 HG21 ' HA3' ' A' ' 30' ' ' GLY . 18.7 p -130.77 154.59 81.88 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.565 0.698 . . . . 0.0 111.168 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.51 3.44 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.722 2.281 . . . . 0.0 112.36 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 54' ' ' ALA . . . . . 0.454 ' HA ' ' HG ' ' A' ' 57' ' ' CYS . . . -109.99 -8.25 14.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -112.28 -22.95 10.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.4 mt -89.31 -35.89 15.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' CYS . . . . . 0.454 ' HG ' ' HA ' ' A' ' 54' ' ' ALA . 2.8 p -55.08 152.34 7.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.438 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 42.5 t -127.06 122.64 23.23 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.592 0.711 . . . . 0.0 111.169 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.438 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.74 148.07 85.93 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.363 -0.096 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.2 ptt-85 -83.38 169.04 16.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.534 ' HG ' HG21 ' A' ' 45' ' ' VAL . 13.9 tp -103.15 129.08 49.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.45 156.2 48.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.28 125.48 16.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 44' ' ' ILE . . . 121.34 -42.76 1.63 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.432 ' HB3' HG11 ' A' ' 102' ' ' VAL . 95.2 m-20 -51.49 99.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.714 0.292 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -73.1 125.66 28.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.1 t -78.86 111.24 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.507 HG12 ' HG ' ' A' ' 69' ' ' LEU . 93.7 t -89.1 -37.43 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.507 ' HG ' HG12 ' A' ' 68' ' ' VAL . 88.9 mt -149.4 137.77 20.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.448 HG22 ' ND2' ' A' ' 71' ' ' ASN . 15.7 mt -109.42 95.56 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.448 ' ND2' HG22 ' A' ' 70' ' ' ILE . 0.8 OUTLIER 73.18 40.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.03 -37.17 2.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -80.19 141.19 35.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 74' ' ' ASP . . . . . 0.477 ' HA ' HD23 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -85.93 141.61 29.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.8 pp -123.94 11.02 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.17 -12.94 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.064 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.3 mp0 -99.25 -23.34 15.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -71.5 146.81 48.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 80' ' ' HIS . 13.3 p -84.37 150.36 25.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' THR . 22.1 t60 -35.07 -63.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 0.3 OUTLIER -42.48 -64.18 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -49.18 -62.07 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.5 t -39.48 -50.46 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 80' ' ' HIS . 79.5 t -50.45 -50.31 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.41 -32.56 71.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -51.42 -39.33 57.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.477 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 14.3 mt -69.66 -46.0 76.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.45 -33.14 69.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.502 ' HB1' ' CZ ' ' A' ' 93' ' ' ARG . . . -55.16 -30.21 59.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.753 ' HB3' HD12 ' A' ' 98' ' ' LEU . 9.6 p -38.19 -28.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 89' ' ' ALA . 7.4 p -44.32 -43.98 7.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -132.7 58.86 1.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.502 ' CZ ' ' HB1' ' A' ' 89' ' ' ALA . 68.8 mmt-85 -123.48 179.56 4.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -71.82 173.96 7.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 97' ' ' GLU . 28.3 p 43.56 26.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.823 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 95' ' ' SER . . . 34.62 -93.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 95' ' ' SER . 16.9 pt-20 -47.37 174.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.893 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.753 HD12 ' HB3' ' A' ' 90' ' ' SER . 1.2 tt -119.59 146.09 45.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.429 ' N ' HD23 ' A' ' 98' ' ' LEU . 2.8 mtt -129.18 121.9 28.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.5 mt -108.18 116.35 31.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.5 tp -85.33 103.11 13.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.432 HG11 ' HB3' ' A' ' 65' ' ' ASP . 18.8 m -112.07 171.92 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.625 ' HG3' HD21 ' A' ' 16' ' ' LEU . 13.3 ttm180 -111.85 124.67 31.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.581 0.705 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 152.66 69.21 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.258 . . . . 0.0 112.307 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -115.85 88.58 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 64.6 25.73 13.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.6 t -112.0 58.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -99.78 101.24 12.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -151.13 153.64 35.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.897 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.6 p -49.03 135.11 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.125 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 p -119.26 146.89 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -129.23 115.24 17.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -124.52 -57.7 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.9 p -114.2 175.93 5.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.58 151.68 19.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -44.0 2.35 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.7 t -56.32 133.89 53.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.0 t -115.82 147.6 40.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 p -166.6 136.16 3.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 110.896 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.3 p -137.18 120.27 16.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.77 -85.91 1.83 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.513 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.7 m 43.32 42.5 3.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.929 0.395 . . . . 0.0 110.885 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -134.31 161.95 33.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.828 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.74 173.86 16.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -145.11 125.1 13.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.73 101.16 0.97 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.46 91.21 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.0 mm -47.29 130.36 9.87 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.636 0.731 . . . . 0.0 111.136 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 146.02 58.83 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.717 2.278 . . . . 0.0 112.335 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -96.36 90.74 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -157.34 172.62 18.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -126.36 52.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.62 157.67 37.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 87.2 t -98.85 121.67 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.6 tp -101.59 129.54 47.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.427 HD13 ' HG2' ' A' ' 59' ' ' PRO . 7.5 mm -100.29 123.63 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 20' ' ' ARG . 13.5 mtp-105 -126.15 131.06 52.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.39 176.27 12.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -122.16 151.72 59.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.561 0.695 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 147.09 61.88 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -72.18 -177.59 2.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -58.01 -35.66 71.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -93.95 24.85 3.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 45.3 56.64 6.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -149.67 149.93 31.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.84 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -104.28 -176.02 2.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.721 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -129.31 65.29 0.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 6.7 p90 -158.03 127.86 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -104.83 140.89 37.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.2 155.69 17.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.7 pttt -143.67 143.71 31.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 35' ' ' GLY . . . . . 0.439 ' HA2' ' CG ' ' A' ' 41' ' ' MET . . . 105.98 158.94 22.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.473 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.93 -174.52 40.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.487 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -60.16 -31.81 70.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.883 0.373 . . . . 0.0 110.943 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -55.75 -41.93 74.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' LYS . 11.3 mm-40 -109.92 27.34 9.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' GLN . 3.5 mtpm? 37.47 36.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.439 ' CG ' ' HA2' ' A' ' 35' ' ' GLY . 9.0 ptm -128.65 154.17 79.66 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.58 0.705 . . . . 0.0 110.899 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 157.2 61.05 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.364 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 35' ' ' GLY . 42.9 t -91.19 116.18 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.79 136.34 54.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.503 HG21 ' OD2' ' A' ' 65' ' ' ASP . 73.2 t -51.48 114.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 p -68.68 -62.39 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' ARG . . . . . 0.472 ' HD2' ' N ' ' A' ' 48' ' ' VAL . 3.5 tmm_? -146.09 148.4 32.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' ' 30' ' ' GLY . 74.2 t -123.62 119.98 58.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.78 143.55 71.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.528 0.68 . . . . 0.0 111.135 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 173.42 11.03 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 51.65 45.86 54.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.721 HG21 ' HA3' ' A' ' 30' ' ' GLY . 10.4 p -131.66 155.69 81.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.577 0.703 . . . . 0.0 111.127 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -6.58 18.98 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.654 2.236 . . . . 0.0 112.33 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.66 -19.47 21.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -99.62 -63.03 1.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mt -46.73 -20.53 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.9 p -68.37 167.89 13.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.497 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 1.4 p -132.72 128.9 21.07 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.64 0.733 . . . . 0.0 111.113 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 54.3 Cg_endo -69.71 135.47 33.9 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.705 -1.789 . . . . 0.0 112.338 -0.066 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -55.87 118.11 4.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 61' ' ' LEU . . . . . 0.517 HD11 ' OD2' ' A' ' 65' ' ' ASP . 7.9 tp -67.04 108.98 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 63' ' ' GLU . 0.5 OUTLIER -111.0 127.4 55.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.891 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 63' ' ' GLU . . . . . 0.477 ' HA ' ' CG1' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -34.14 149.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.84 -12.45 57.75 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' ASP . . . . . 0.517 ' OD2' HD11 ' A' ' 61' ' ' LEU . 3.0 p-10 -77.21 126.83 31.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.783 0.325 . . . . 0.0 110.813 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -88.3 124.65 34.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.7 t -84.48 104.89 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.453 HG12 ' HG ' ' A' ' 69' ' ' LEU . 50.7 t -72.13 -47.88 52.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.453 ' HG ' HG12 ' A' ' 68' ' ' VAL . 19.0 mt -149.02 143.75 26.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.774 HG22 ' ND2' ' A' ' 71' ' ' ASN . 63.2 mt -98.06 104.51 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ASN . . . . . 0.774 ' ND2' HG22 ' A' ' 70' ' ' ILE . 20.7 p30 47.14 38.94 7.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.5 44.95 10.16 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.453 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.6 mmp_? -137.39 121.91 18.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -67.15 113.31 5.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.442 HD12 ' C ' ' A' ' 75' ' ' ILE . 2.9 pp -131.24 13.23 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.01 75.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -93.81 27.95 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 82' ' ' GLN . 4.6 t-160 -108.66 148.76 29.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 83' ' ' VAL . 82.1 p -63.43 165.0 8.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.152 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -70.03 -56.65 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.834 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -42.44 -45.15 4.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.552 ' HB3' ' CE1' ' A' ' 78' ' ' HIS . 10.2 mm100 -64.14 -65.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 79' ' ' THR . 55.4 t -36.55 -58.58 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 87.7 t -47.31 -43.24 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.1 mt -71.84 -35.94 70.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -48.19 -53.13 17.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.443 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 38.8 mt -53.88 -54.96 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -46.33 -56.88 5.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 90' ' ' SER . . . -37.35 -51.44 1.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 89' ' ' ALA . 7.6 m -35.39 -46.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 43.8 t -77.99 -47.58 18.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -45.83 -49.35 15.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -71.14 173.24 7.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 95' ' ' SER . 9.5 t-80 -56.21 -54.46 44.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 95' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 94' ' ' HIS . 70.0 m -35.49 134.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -125.59 72.04 0.45 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -172.76 145.2 1.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.376 . . . . 0.0 110.902 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.676 HD11 HD21 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -122.08 129.9 52.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.541 ' N ' HD13 ' A' ' 98' ' ' LEU . 6.0 mtp -133.23 117.2 17.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.676 HD21 HD11 ' A' ' 98' ' ' LEU . 5.5 mt -117.72 128.27 54.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.6 tp -91.39 106.51 18.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 17.9 m -111.36 155.1 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -97.03 136.02 21.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.54 0.686 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 145.46 57.16 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -118.95 81.38 1.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.92 125.0 50.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 61.5 t -149.22 127.69 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.167 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -47.74 126.25 9.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -136.63 145.5 44.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 110' ' ' VAL . . . . . 0.516 ' O ' HG13 ' A' ' 110' ' ' VAL . 6.8 p -124.76 111.86 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 95.7 t -112.1 139.33 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -153.14 124.8 7.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -169.19 113.61 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.2 p -153.22 142.76 21.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 117.88 -158.8 14.48 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 100.57 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.332 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 36.9 m -141.16 121.84 14.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.896 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.8 t -92.38 -54.72 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.538 -179.932 . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -170.85 132.08 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.9 p -164.88 127.36 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.85 164.84 27.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.0 p -156.99 167.6 30.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.841 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 p -130.64 170.74 13.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.62 84.45 0.17 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -146.64 123.28 11.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.864 0.364 . . . . 0.0 110.844 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.92 94.54 0.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 137.03 131.32 2.96 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.571 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -40.6 146.59 0.44 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.613 0.721 . . . . 0.0 111.179 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -21.45 33.12 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -80.85 87.78 5.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -118.99 175.68 5.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -96.86 -41.46 8.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LEU . . . . . 0.413 ' HB3' HD11 ' A' ' 101' ' ' LEU . 3.9 mm? -74.4 153.12 39.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.59 HG23 ' HG3' ' A' ' 104' ' ' PRO . 85.1 t -102.29 148.32 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 tp -127.95 137.03 52.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.546 HD13 ' HG2' ' A' ' 59' ' ' PRO . 6.8 mm -102.48 115.52 44.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -114.87 131.39 56.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.13 149.98 9.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -87.82 155.34 53.07 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.551 0.691 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 157.89 58.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.65 2.234 . . . . 0.0 112.32 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -79.31 173.17 12.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -46.37 -46.45 18.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' ASN . . . . . 0.426 ' O ' ' ND2' ' A' ' 26' ' ' ASN . 0.3 OUTLIER -82.25 -16.38 49.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.927 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.79 37.7 4.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.45 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -128.21 172.43 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.447 ' CE1' HG22 ' A' ' 87' ' ' ILE . 50.1 m-85 -120.08 176.74 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -117.01 64.69 0.35 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 31' ' ' PHE . 8.8 p90 -165.31 135.08 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -106.5 162.53 13.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.2 m -136.42 162.59 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -148.61 159.06 44.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.86 -168.59 24.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.502 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.45 164.28 9.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.51 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -47.29 -27.7 1.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.905 0.383 . . . . 0.0 110.918 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.33 -41.01 94.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -99.85 19.31 16.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp 42.93 30.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 10.9 ptm -127.24 151.5 74.66 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.562 0.696 . . . . 0.0 110.899 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.551 ' HG2' HD11 ' A' ' 44' ' ' ILE . 54.0 Cg_endo -69.74 162.28 42.65 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.483 ' C ' HD12 ' A' ' 44' ' ' ILE . 50.5 t -90.73 120.03 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.551 HD11 ' HG2' ' A' ' 42' ' ' PRO . 4.2 mp -137.98 142.13 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 45' ' ' VAL . . . . . 0.446 HG11 ' CG2' ' A' ' 48' ' ' VAL . 63.6 t -54.65 132.28 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.7 p -94.13 -59.42 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.5 tpt85 -135.84 148.07 48.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.446 ' CG2' HG11 ' A' ' 45' ' ' VAL . 58.4 t -138.2 110.41 6.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.3 148.08 66.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.597 0.713 . . . . 0.0 111.089 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.408 ' O ' HG23 ' A' ' 52' ' ' THR . 54.2 Cg_endo -69.72 -177.43 1.86 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.238 . . . . 0.0 112.385 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 44.17 46.7 8.19 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 50' ' ' PRO . 13.1 p -132.17 154.82 81.78 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.564 0.697 . . . . 0.0 111.153 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 2.2 3.79 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.706 2.271 . . . . 0.0 112.33 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -108.05 -24.96 11.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.075 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -93.41 -34.32 13.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.1 mt -81.67 -15.72 53.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.6 p -74.29 160.22 31.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.676 HG13 ' HA ' ' A' ' 59' ' ' PRO . 92.8 t -124.72 137.58 29.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.662 0.744 . . . . 0.0 111.113 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.676 ' HA ' HG13 ' A' ' 58' ' ' VAL . 53.1 Cg_endo -69.81 141.66 66.89 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.292 0.008 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -49.01 129.03 17.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.3 tp -89.08 100.55 13.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -108.15 163.35 13.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -54.04 145.49 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.4 ' C ' HG23 ' A' ' 44' ' ' ILE . . . 103.21 -27.72 18.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -56.95 89.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.348 . . . . 0.0 110.835 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -70.64 116.91 11.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.7 t -71.75 113.2 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.634 HG12 ' HG ' ' A' ' 69' ' ' LEU . 61.1 t -83.74 -55.56 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.634 ' HG ' HG12 ' A' ' 68' ' ' VAL . 65.7 mt -139.45 143.08 37.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.608 HG21 ' HB3' ' A' ' 86' ' ' PHE . 51.4 mt -111.68 123.97 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 51.73 36.71 18.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.05 37.57 95.16 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.44 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -135.43 156.89 48.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.815 0.34 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -72.64 127.43 32.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.835 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.771 HD12 ' N ' ' A' ' 76' ' ' ALA . 2.8 pp -121.4 -39.0 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.771 ' N ' HD12 ' A' ' 75' ' ' ILE . . . -51.81 -37.22 50.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -73.07 -19.87 61.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -89.25 166.07 14.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.799 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 27.1 p -84.63 173.59 10.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.445 ' O ' HG23 ' A' ' 84' ' ' VAL . 31.1 t60 -56.23 -49.89 72.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.66 -62.16 1.8 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.546 ' OE1' ' CE2' ' A' ' 86' ' ' PHE . 0.6 OUTLIER -42.24 -51.53 4.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.9 t -54.53 -46.64 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 80' ' ' HIS . 95.0 t -55.01 -26.26 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.9 mp -82.22 -44.19 16.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.608 ' HB3' HG21 ' A' ' 70' ' ' ILE . 2.9 m-85 -45.08 -29.9 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.447 HG22 ' CE1' ' A' ' 29' ' ' PHE . 10.2 mt -80.88 -54.23 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -54.27 -44.74 72.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 90' ' ' SER . . . -40.28 -40.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 90' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 89' ' ' ALA . 89.9 p -37.37 -54.47 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 61.6 m -39.22 -50.35 1.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -99.16 73.26 1.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -130.75 148.73 52.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -52.96 -48.16 67.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.5 m -87.69 -51.27 5.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 91.63 91.41 1.39 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.518 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -173.51 177.8 2.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.56 HD11 HD21 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -129.54 132.15 46.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.542 ' N ' HD13 ' A' ' 98' ' ' LEU . 8.5 mtt -134.38 126.31 29.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.56 HD21 HD11 ' A' ' 98' ' ' LEU . 7.8 mt -131.69 119.29 21.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 16' ' ' LEU . 20.8 tp -91.67 101.5 14.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 33.8 m -101.46 158.95 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.464 ' HB2' ' CG2' ' A' ' 68' ' ' VAL . 17.8 ttp180 -107.43 107.38 60.31 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.608 0.718 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.59 ' HG3' HG23 ' A' ' 17' ' ' VAL . 53.4 Cg_endo -69.81 148.11 64.04 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.677 2.252 . . . . 0.0 112.296 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 35.2 p-10 -114.96 86.56 2.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.56 103.22 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 99.9 t -123.54 131.26 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -42.7 117.69 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.968 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -111.78 127.59 55.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.0 p -112.69 126.76 70.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.0 p -77.55 132.17 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -149.99 145.5 26.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -101.19 44.55 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.1 p -55.04 129.56 38.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -161.47 77.92 0.17 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 176.55 6.6 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.391 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 63.8 p -164.95 163.58 20.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.6 m -134.51 174.39 10.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 t -87.7 82.89 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.852 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.0 p -100.98 121.67 42.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.63 77.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 m -164.74 145.52 7.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -66.64 170.94 5.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.4 62.37 0.61 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.455 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -52.97 98.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.931 0.396 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.54 121.36 25.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.12 -126.07 25.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.491 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ILE . . . . . 0.653 HD12 ' N ' ' A' ' 11' ' ' ILE . 2.3 mp -117.34 119.98 33.94 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.646 0.736 . . . . 0.0 111.112 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 179.62 3.61 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.258 . . . . 0.0 112.3 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.3 OUTLIER -98.3 41.5 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.94 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -42.43 135.06 2.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -120.73 -60.9 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mp -89.02 160.02 17.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.584 HG13 HG23 ' A' ' 102' ' ' VAL . 3.0 p -81.61 149.62 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 tp -125.72 136.84 53.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.62 HD13 ' HG2' ' A' ' 59' ' ' PRO . 8.8 mm -101.37 144.03 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -144.86 132.28 20.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -162.28 175.11 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -125.55 152.44 71.83 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 144.82 55.09 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.638 2.225 . . . . 0.0 112.317 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -70.46 -176.55 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -68.03 -11.49 59.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -116.78 10.38 14.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.23 58.3 13.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.518 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -145.81 123.43 11.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -84.1 178.43 7.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.564 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -131.31 71.08 0.51 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.479 ' CZ ' HD13 ' A' ' 87' ' ' ILE . 14.9 p90 -166.24 128.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.928 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -100.2 156.81 17.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.4 m -131.06 152.91 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -133.67 149.12 51.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.47 177.68 45.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.496 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.77 -154.39 20.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.514 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.479 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 2.8 t80 -81.56 -45.82 15.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.915 0.388 . . . . 0.0 110.938 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.95 -25.46 66.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -95.34 0.41 53.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm 50.18 43.95 26.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.6 ptm -142.55 153.26 61.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.542 0.687 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.556 ' HG2' HD11 ' A' ' 44' ' ' ILE . 53.9 Cg_endo -69.8 155.31 66.13 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.626 2.218 . . . . 0.0 112.353 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 43' ' ' VAL . . . . . 0.489 ' C ' HD12 ' A' ' 44' ' ' ILE . 23.3 t -86.04 117.49 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.091 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.567 HD12 ' N ' ' A' ' 44' ' ' ILE . 4.0 mp -130.49 140.5 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.8 t -55.76 130.44 18.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.4 t -88.9 -58.81 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.3 tpt85 -144.8 151.38 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 30' ' ' GLY . 41.6 t -133.5 115.44 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.85 146.89 53.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.545 0.688 . . . . 0.0 111.115 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 164.05 35.98 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.727 2.285 . . . . 0.0 112.358 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.99 40.73 95.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.564 HG21 ' HA3' ' A' ' 30' ' ' GLY . 16.5 p -131.5 154.78 81.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.579 0.704 . . . . 0.0 111.111 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -0.86 7.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.79 -5.93 19.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -107.68 -53.65 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.9 mt -67.65 -22.64 65.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.8 p -60.45 170.69 1.28 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.512 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 57.4 t -140.73 133.94 14.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.594 0.711 . . . . 0.0 111.145 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.62 ' HG2' HD13 ' A' ' 19' ' ' ILE . 54.1 Cg_endo -69.74 139.66 55.86 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.623 -1.824 . . . . 0.0 112.365 -0.091 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -53.84 128.81 31.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 24.1 tp -81.38 86.5 6.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -82.03 168.1 18.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -68.07 134.89 51.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.74 -13.33 32.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.12 85.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.764 0.316 . . . . 0.0 110.864 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -59.38 113.42 2.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.6 t -73.93 105.08 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.728 HG12 ' HG ' ' A' ' 69' ' ' LEU . 87.1 t -76.6 -40.24 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.728 ' HG ' HG12 ' A' ' 68' ' ' VAL . 41.1 mt -153.36 134.79 14.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.508 HG23 HD23 ' A' ' 100' ' ' LEU . 75.4 mt -99.44 122.1 50.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 59.11 27.19 16.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 70.46 41.44 66.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -137.74 158.95 43.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -84.24 107.28 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.47 HD12 ' C ' ' A' ' 75' ' ' ILE . 2.8 pp -117.85 -4.96 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.83 -27.19 64.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.059 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 37' ' ' TYR . 24.3 tt0 -79.14 -28.62 42.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -67.77 149.7 49.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.0 p -78.33 164.12 25.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.142 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -42.29 -55.07 3.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -59.67 -46.88 87.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -55.85 -39.66 71.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 86' ' ' PHE . 23.1 t -66.51 -68.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 83' ' ' VAL . 27.4 t -37.15 -51.12 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.153 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.57 -37.87 89.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 83' ' ' VAL . 46.4 t80 -50.16 -41.52 49.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.479 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 40.9 mt -62.99 -58.6 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.71 -42.78 62.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -46.05 -53.62 9.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.086 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.3 t -44.32 -51.39 8.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 92' ' ' GLU . 2.2 t -42.66 -54.17 4.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 91' ' ' CYS . 34.4 tt0 -35.14 -57.9 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -90.6 153.19 20.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -110.53 88.89 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.7 t -90.77 -54.57 3.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -166.25 -93.69 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.532 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 -135.17 166.67 22.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.63 107.1 18.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 18.7 mtt -111.07 141.73 44.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.508 HD23 HG23 ' A' ' 70' ' ' ILE . 8.7 mt -141.46 116.51 9.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.8 tp -80.57 99.75 8.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.584 HG23 HG13 ' A' ' 17' ' ' VAL . 3.9 m -109.0 172.25 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.466 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 17.1 ttt-85 -102.02 139.32 20.2 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 104' ' ' PRO . . . . . 0.466 ' HD2' ' CG ' ' A' ' 103' ' ' ARG . 53.7 Cg_endo -69.78 137.55 35.68 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -117.78 74.42 0.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.0 123.54 10.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.072 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.7 p -168.55 140.06 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -146.3 151.84 38.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -158.86 171.26 20.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 87.7 t -62.49 128.42 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.6 t -95.36 91.38 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.07 166.12 32.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -164.42 108.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.4 t -66.11 167.62 9.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -140.3 85.04 0.21 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.527 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -36.18 11.34 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.311 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 36.2 t 49.73 52.41 14.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 71.7 m 58.05 49.51 11.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -159.45 106.63 1.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.913 0.387 . . . . 0.0 110.869 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 p -134.75 168.94 18.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.81 90.21 0.11 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.504 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 p -41.64 117.99 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.938 0.399 . . . . 0.0 110.861 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.5 p -133.39 173.41 11.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.33 -163.07 36.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -111.0 -61.76 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.387 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.75 -60.3 8.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.94 -171.64 53.68 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.464 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.9 pt -48.54 142.5 8.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.721 . . . . 0.0 111.104 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 135.01 29.36 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 0.1 OUTLIER -149.23 170.05 19.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.835 179.95 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -127.07 126.76 43.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 7.6 t-20 -47.75 -40.43 20.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.877 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -80.42 154.71 27.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 17' ' ' VAL . . . . . 0.438 ' CG1' HG23 ' A' ' 102' ' ' VAL . 1.9 p -97.09 145.84 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' LEU . . . . . 0.476 HD11 ' CG ' ' A' ' 99' ' ' MET . 6.2 tp -112.63 135.97 52.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.538 HD13 ' HG2' ' A' ' 59' ' ' PRO . 17.3 mm -106.58 130.13 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 20' ' ' ARG . 5.7 mmm180 -122.8 128.62 50.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.3 ptp -172.3 148.29 2.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -106.76 143.94 28.06 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.561 0.696 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 159.87 51.82 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.733 2.288 . . . . 0.0 112.359 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -72.31 -176.14 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -60.08 -42.82 95.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -93.89 22.25 5.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.28 52.84 44.71 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.55 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -121.76 132.71 54.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' PHE . . . . . 0.845 ' CZ ' HD13 ' A' ' 98' ' ' LEU . 68.6 m-85 -104.26 175.59 5.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -129.97 67.75 0.56 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -159.53 135.26 8.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -98.68 153.44 18.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 m -128.66 171.04 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' LYS . . . . . 0.408 ' CG ' ' O ' ' A' ' 44' ' ' ILE . 1.5 ptmm? -151.98 122.1 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.81 -165.5 20.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.88 158.55 7.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.459 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -42.43 -31.79 0.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.877 0.37 . . . . 0.0 110.885 -179.779 . . . . . . . . 3 3 . 1 . 019 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -49.96 -43.22 50.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 41' ' ' MET . 17.5 mm100 -110.23 34.05 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 39' ' ' GLN . 30.3 mmtp 35.0 32.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 39' ' ' GLN . 25.8 ptm -122.62 152.62 62.11 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.538 0.685 . . . . 0.0 110.892 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 42' ' ' PRO . . . . . 0.864 ' HG2' HD11 ' A' ' 44' ' ' ILE . 53.7 Cg_endo -69.79 169.94 17.79 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.247 . . . . 0.0 112.342 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 83.9 t -91.56 102.3 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ILE . . . . . 0.864 HD11 ' HG2' ' A' ' 42' ' ' PRO . 2.8 mp -107.97 143.29 18.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.5 t -68.03 131.91 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.6 p -93.73 -56.16 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -141.95 160.13 40.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.9 t -134.81 119.08 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.26 150.41 74.08 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.572 0.701 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 50' ' ' PRO . . . . . 0.404 ' O ' HG23 ' A' ' 52' ' ' THR . 53.8 Cg_endo -69.75 169.65 18.4 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 48.36 42.35 25.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 50' ' ' PRO . 23.8 p -119.86 153.2 54.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.534 0.683 . . . . 0.0 111.163 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 2.13 3.82 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -110.57 -13.94 14.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -100.87 -43.97 5.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 mt -74.68 -24.65 58.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.4 p -66.03 161.27 21.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.519 HG13 ' HA ' ' A' ' 59' ' ' PRO . 67.2 t -128.42 134.37 26.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.672 0.749 . . . . 0.0 111.166 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.538 ' HG2' HD13 ' A' ' 19' ' ' ILE . 54.2 Cg_endo -69.74 143.03 72.68 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.325 -0.022 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -55.92 129.71 40.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.7 tp -80.91 100.95 9.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.0 m120 -94.85 167.07 11.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -62.93 157.77 20.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 64' ' ' GLY . . . . . 0.457 ' O ' HG23 ' A' ' 44' ' ' ILE . . . 84.41 -22.74 8.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.64 87.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 110.837 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' GLY . 38.6 tt0 -67.23 115.74 7.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.4 t -76.3 108.01 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.6 t -71.9 -34.85 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.6 mt -155.86 162.79 40.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.57 HG13 HD13 ' A' ' 75' ' ' ILE . 37.1 mt -130.89 114.08 26.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 57.74 34.56 24.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.43 37.86 95.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.496 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -136.46 135.67 38.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.768 0.318 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -58.11 119.74 7.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.57 HD13 HG13 ' A' ' 70' ' ' ILE . 5.1 pt -114.99 -28.68 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ALA . . . . . 0.412 ' N ' HG13 ' A' ' 75' ' ' ILE . . . -47.7 -34.06 7.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -75.56 -26.33 57.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -76.86 155.95 32.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.607 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.5 p -92.74 172.13 8.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.583 ' O ' HG23 ' A' ' 84' ' ' VAL . 24.7 t-80 -52.57 -54.64 30.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.46 -58.87 5.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 83' ' ' VAL . 30.2 mm-40 -49.76 -63.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 79' ' ' THR . 90.9 t -37.51 -58.69 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 80' ' ' HIS . 94.1 t -44.24 -43.25 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.34 -42.38 59.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -53.61 -38.47 64.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 87' ' ' ILE . . . . . 0.609 HG23 HD11 ' A' ' 98' ' ' LEU . 12.2 mt -68.19 -44.32 84.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 69.4 mttm -62.93 -31.92 73.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.61 -26.31 8.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.0 p -40.55 -35.37 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.894 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 3.6 t -64.72 -54.42 31.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -66.23 -26.49 67.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 62.6 mtt-85 -75.97 135.93 40.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 96' ' ' GLY . 12.3 t-80 -39.47 -66.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 63.1 p -58.86 83.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 94' ' ' HIS . . . -46.41 -49.91 14.48 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.489 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.4 pm0 -52.57 167.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.845 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 5.7 tt -134.15 145.82 49.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' MET . . . . . 0.489 ' N ' HD23 ' A' ' 98' ' ' LEU . 24.1 ttm -133.08 144.97 50.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.4 mt -135.09 152.48 51.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 21.1 tp -124.28 99.76 6.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' VAL . . . . . 0.438 HG23 ' CG1' ' A' ' 17' ' ' VAL . 11.1 m -109.48 171.98 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -104.56 136.25 19.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 161.0 47.62 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.648 2.232 . . . . 0.0 112.361 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -114.17 69.96 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -156.0 133.46 10.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.6 p -90.7 136.6 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.182 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -52.19 163.95 0.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -172.26 160.89 5.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.822 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.4 p -112.91 137.82 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.085 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.2 t -103.33 136.83 34.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.24 160.09 43.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -167.59 109.01 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.2 m -80.6 111.75 17.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -125.31 -179.83 15.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 119.29 6.26 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.351 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.0 m -56.38 109.92 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.839 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 51.5 p -82.89 160.17 22.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 p -165.0 113.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t -171.13 153.07 3.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.61 172.0 44.91 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.468 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.2 p -77.94 155.64 30.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.918 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -126.88 41.94 3.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.14 147.91 20.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.5 m120 -140.95 152.98 45.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.903 0.382 . . . . 0.0 110.875 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.39 -177.37 32.14 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.99 -164.16 28.88 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.534 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 pt -60.99 143.87 91.36 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.66 0.743 . . . . 0.0 111.089 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 120.12 6.95 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.646 2.231 . . . . 0.0 112.34 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -88.79 -59.65 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -44.3 136.67 3.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.6 p30 -79.46 46.06 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 mt -73.92 154.89 39.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.1 t -98.45 137.62 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.7 tp -114.36 132.92 56.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 19' ' ' ILE . . . . . 0.52 HD13 ' HG2' ' A' ' 59' ' ' PRO . 7.9 mm -103.2 124.97 57.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -128.0 121.53 30.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.51 161.82 42.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.98 152.33 42.98 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 128.89 16.72 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.768 2.312 . . . . 0.0 112.328 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -44.39 167.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -48.81 -43.32 38.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -84.24 -23.62 30.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.03 53.66 0.95 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.476 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -143.8 128.13 17.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -84.68 -176.6 6.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' GLY . . . . . 0.529 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -132.08 63.57 0.62 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.47 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 4.3 p90 -161.41 129.74 4.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.377 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' ASN . . . . . 0.413 ' CB ' ' HB3' ' A' ' 46' ' ' SER . 11.0 m120 -98.9 168.84 9.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.9 m -140.89 158.14 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -149.74 134.75 17.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.41 -154.33 16.76 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.09 170.9 16.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -49.04 -29.07 4.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.943 0.401 . . . . 0.0 110.892 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -54.93 -33.46 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 41' ' ' MET . 10.3 mt-30 -123.28 30.71 6.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 40' ' ' LYS . . . . . 0.405 ' N ' ' HD3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER 38.92 29.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 41' ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' GLN . 15.2 ptm -123.59 153.06 66.14 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.545 0.688 . . . . 0.0 110.904 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 150.64 68.51 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.655 2.236 . . . . 0.0 112.376 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.6 t -86.73 104.34 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.3 mp -115.8 147.68 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.6 t -51.21 131.74 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 46' ' ' SER . . . . . 0.413 ' HB3' ' CB ' ' A' ' 32' ' ' ASN . 35.3 t -86.66 -63.94 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -145.98 162.56 37.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 49' ' ' ALA . 46.2 t -137.71 155.4 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' ALA . . . . . 0.446 ' N ' HG12 ' A' ' 48' ' ' VAL . . . -134.7 148.32 66.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.6 0.714 . . . . 0.0 111.143 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.6 33.89 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.96 -5.63 61.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' THR . . . . . 0.529 HG21 ' HA3' ' A' ' 30' ' ' GLY . 37.5 p -95.29 152.31 39.28 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.578 0.704 . . . . 0.0 111.142 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 3.74 2.62 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.293 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -107.45 -24.36 11.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.06 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -94.37 -11.94 28.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 30.9 mt -105.05 -37.07 7.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 23.5 p -53.94 170.16 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 58' ' ' VAL . . . . . 0.516 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 59.4 t -140.91 133.66 14.41 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.665 0.745 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' PRO . . . . . 0.52 ' HG2' HD13 ' A' ' 19' ' ' ILE . 53.9 Cg_endo -69.74 133.68 26.52 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.339 -0.084 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -54.17 146.98 13.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.0 tp -100.49 102.4 13.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -110.35 168.89 9.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -51.48 146.9 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.27 -44.24 1.55 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -49.49 95.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.715 0.293 . . . . 0.0 110.82 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -73.8 127.54 33.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.8 t -77.16 107.78 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.097 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' VAL . . . . . 0.477 HG12 ' HG ' ' A' ' 69' ' ' LEU . 47.5 t -79.23 -44.32 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.477 ' HG ' HG12 ' A' ' 68' ' ' VAL . 34.6 mt -148.99 165.1 32.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' ILE . . . . . 0.69 HD12 HG21 ' A' ' 75' ' ' ILE . 31.0 mt -126.05 113.2 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 53.61 41.58 32.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.45 -36.25 2.79 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' ARG . . . . . 0.555 ' HD3' ' CE2' ' A' ' 86' ' ' PHE . 4.9 ptm180 -78.81 157.62 28.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -95.72 148.84 22.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' ILE . . . . . 0.69 HG21 HD12 ' A' ' 70' ' ' ILE . 2.8 pp -130.92 20.52 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.97 -29.91 64.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -70.82 -30.97 67.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 78' ' ' HIS . . . . . 0.4 ' ND1' ' CD ' ' A' ' 82' ' ' GLN . 3.8 m-70 -79.19 173.04 12.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 80' ' ' HIS . 53.4 p -108.94 161.3 15.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 80' ' ' HIS . . . . . 0.403 ' C ' ' O ' ' A' ' 79' ' ' THR . 1.0 OUTLIER -38.01 -49.14 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.83 179.932 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 81' ' ' ASP . . . . . 0.619 ' O ' HD23 ' A' ' 85' ' ' LEU . 1.6 m-20 -51.58 -59.96 3.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' GLN . . . . . 0.432 ' O ' ' C ' ' A' ' 83' ' ' VAL . 51.4 mt-30 -51.54 -65.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 83' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 82' ' ' GLN . 66.4 t -35.11 -61.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 96.6 t -49.28 -43.69 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 85' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 81' ' ' ASP . 4.3 mm? -64.67 -42.96 95.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PHE . . . . . 0.555 ' CE2' ' HD3' ' A' ' 73' ' ' ARG . 23.7 t80 -61.55 -55.23 33.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.4 mt -50.5 -55.41 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -31.9 70.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 89' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 86' ' ' PHE . . . -57.84 -33.94 69.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 t -47.43 -39.22 15.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 91' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 92' ' ' GLU . 77.8 m -61.5 -44.29 97.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 91' ' ' CYS . 34.7 mt-10 -36.15 -40.69 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.97 139.48 49.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -64.26 -56.52 14.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.3 t -69.95 122.55 19.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 135.32 65.34 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' GLU . . . . . 0.413 ' CD ' ' H ' ' A' ' 97' ' ' GLU . 5.8 mp0 -49.55 159.25 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.379 . . . . 0.0 110.87 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 98' ' ' LEU . . . . . 0.527 HD11 HD21 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -90.98 118.86 30.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.959 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 16.8 mtt -125.29 118.79 26.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' LEU . . . . . 0.527 HD21 HD11 ' A' ' 98' ' ' LEU . 20.6 mt -125.25 131.43 53.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.0 tp -101.27 105.22 16.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 31.1 m -107.48 152.09 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -90.56 126.12 57.27 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 132.84 24.25 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -109.52 73.91 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 62.6 28.22 16.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.056 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.03 144.96 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 108' ' ' TYR . . . . . 0.418 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 3.2 p90 -121.76 168.9 11.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 109' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 108' ' ' TYR . 37.9 t70 -38.06 106.07 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 97.0 t -91.26 103.81 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 77.3 t -111.57 84.96 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.06 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -126.9 161.61 27.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -169.42 107.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.3 m -139.72 148.68 42.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -137.78 75.78 0.37 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -169.51 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.337 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.8 m -160.98 172.94 16.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 78.2 p -156.46 161.71 40.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 179.996 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 103' ' ' ARG . 82.3 mt . . . . . 0 C--O 1.232 0.135 0 CA-C-O 120.869 0.366 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.4 t -82.6 130.5 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 tp -104.47 128.38 52.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.416 HD13 ' HG2' ' A' ' 59' ' ' PRO . 4.7 mm -96.57 120.65 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 -113.0 118.88 36.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.8 ptp -156.85 169.25 25.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.36 150.8 65.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.571 0.7 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 154.15 67.98 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.625 2.217 . . . . 0.0 112.359 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -74.45 174.46 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -45.1 -55.27 5.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -74.27 -28.77 61.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.34 43.6 1.58 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 28' ' ' ARG . 19.9 mtm105 -124.63 144.18 50.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.886 0.374 . . . . 0.0 110.864 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.431 ' CE2' ' HG ' ' A' ' 98' ' ' LEU . 34.1 m-85 -105.44 178.14 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.52 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -121.48 37.94 2.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 26.0 p90 -139.03 126.87 22.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -103.7 151.86 22.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.432 ' HB ' ' CG1' ' A' ' 43' ' ' VAL . 32.7 m -127.16 172.52 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.8 pttt -153.44 148.99 27.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.44 -174.84 27.54 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.473 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.99 170.7 12.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.5 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -42.53 -36.62 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 0.0 110.944 -179.786 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.556 ' HB2' HG22 ' A' ' 79' ' ' THR . 11.9 t0 -53.22 -43.09 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 41' ' ' MET . 31.1 mm-40 -108.7 31.06 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 39' ' ' GLN . 0.4 OUTLIER 32.8 36.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 39' ' ' GLN . 16.9 ptm -130.07 152.67 80.43 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.836 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 154.02 68.25 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.432 ' CG1' ' HB ' ' A' ' 33' ' ' VAL . 21.9 t -89.23 106.48 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.97 140.68 43.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.5 t -50.54 143.19 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.1 p -107.24 -52.42 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.785 ' NH1' ' HB2' ' A' ' 49' ' ' ALA . 2.9 tmm_? -145.7 144.11 30.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.708 HG23 ' OE2' ' A' ' 63' ' ' GLU . 96.8 t -131.12 117.04 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.785 ' HB2' ' NH1' ' A' ' 47' ' ' ARG . . . -90.15 152.6 46.18 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.558 0.694 . . . . 0.0 111.114 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.759 ' O ' HG23 ' A' ' 52' ' ' THR . 53.3 Cg_endo -69.77 -169.47 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.326 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 40.35 38.7 1.45 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.759 HG23 ' O ' ' A' ' 50' ' ' PRO . 42.1 p -128.3 153.08 78.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.626 0.727 . . . . 0.0 111.132 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 2.83 3.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -110.42 -10.06 14.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -109.82 -21.8 12.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.2 mt -93.97 -27.68 16.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 18.8 p -67.92 165.92 16.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.659 HG13 ' HA ' ' A' ' 59' ' ' PRO . 84.1 t -134.77 137.39 27.32 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.594 0.712 . . . . 0.0 111.151 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.659 ' HA ' HG13 ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.81 135.68 35.14 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.386 0.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -55.83 140.22 43.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.1 tp -89.66 93.05 9.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -88.57 168.23 12.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.708 ' OE2' HG23 ' A' ' 48' ' ' VAL . 79.0 mm-40 -63.3 138.48 58.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.72 -32.7 6.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -52.92 101.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.747 0.308 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -79.65 122.1 26.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.967 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 50.1 t -78.58 115.32 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.555 HG12 ' HG ' ' A' ' 69' ' ' LEU . 60.8 t -87.75 -35.45 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.555 ' HG ' HG12 ' A' ' 68' ' ' VAL . 56.2 mt -155.87 170.15 22.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.923 HD12 HG21 ' A' ' 75' ' ' ILE . 68.8 mt -135.53 133.13 52.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.582 ' ND2' HG22 ' A' ' 70' ' ' ILE . 21.9 p30 38.35 30.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . 77.3 42.41 18.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 70' ' ' ILE . 23.5 mmt180 -135.51 143.04 45.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.09 88.95 5.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.808 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.923 HG21 HD12 ' A' ' 70' ' ' ILE . 2.5 pp -87.22 26.43 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.03 -39.01 17.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -87.51 26.23 1.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -124.93 125.84 44.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.818 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.556 HG22 ' HB2' ' A' ' 38' ' ' ASP . 37.4 p -67.44 155.85 38.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 79' ' ' THR . 55.5 t60 -35.66 -61.47 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -44.8 -48.27 10.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -64.02 -58.11 7.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.4 t -47.44 -57.11 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 77.3 t -47.35 -43.25 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.5 mt -69.54 -44.51 70.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -45.24 -61.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.583 HG23 HD21 ' A' ' 98' ' ' LEU . 19.0 mt -46.89 -50.08 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 89' ' ' ALA . 22.9 mttm -54.62 -49.54 70.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.411 ' C ' ' O ' ' A' ' 88' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.087 179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 . . . . . 0 C--O 1.232 0.172 0 CA-C-O 120.855 0.359 . . . . 0.0 110.895 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.583 HD21 HG23 ' A' ' 87' ' ' ILE . 0.7 OUTLIER -91.43 104.49 17.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 10.7 mtt -109.72 132.79 53.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.484 HD21 HD11 ' A' ' 98' ' ' LEU . 7.9 mt -128.72 114.66 16.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.4 tp -84.11 101.61 11.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.6 m -110.28 144.66 17.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.524 ' HB3' HD22 ' A' ' 16' ' ' LEU . 11.3 ptm180 -94.25 136.69 23.25 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.648 0.737 . . . . 0.0 110.813 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.974 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mm? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.853 0.359 . . . . 0.0 110.912 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.493 HG13 ' HG3' ' A' ' 59' ' ' PRO . 96.8 t -102.75 129.97 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.1 tp -101.02 137.61 39.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.418 HD13 ' HG2' ' A' ' 59' ' ' PRO . 14.4 mm -111.12 120.43 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.2 mtm180 -115.07 127.93 55.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.7 ptp -158.38 157.0 31.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -120.91 148.52 48.82 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.598 0.713 . . . . 0.0 110.866 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 139.9 41.15 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.03 -176.35 1.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -56.45 -41.35 76.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -74.35 -16.19 60.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.51 45.94 12.92 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -135.85 147.72 48.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.868 ' CE2' HD22 ' A' ' 98' ' ' LEU . 69.1 m-85 -100.85 169.81 8.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.07 50.53 0.8 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.443 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 11.3 p90 -150.25 124.47 9.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -99.63 151.4 21.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.1 m -126.32 150.94 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -140.7 138.35 34.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.462 ' HA2' ' CG ' ' A' ' 41' ' ' MET . . . 116.96 165.75 13.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.453 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.55 -161.36 32.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -79.24 -41.24 28.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.839 0.352 . . . . 0.0 110.928 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -63.95 -36.1 82.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' LYS . 14.7 mm100 -92.21 11.65 24.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' GLN . 0.5 OUTLIER 34.86 53.4 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.462 ' CG ' ' HA2' ' A' ' 35' ' ' GLY . 13.3 ptm -148.84 152.76 37.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.59 0.71 . . . . 0.0 110.868 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 153.69 68.35 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.249 . . . . 0.0 112.315 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.434 HG21 HD13 ' A' ' 75' ' ' ILE . 46.0 t -87.57 106.02 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mp -121.96 141.88 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.581 HG11 ' CG2' ' A' ' 48' ' ' VAL . 66.7 t -50.66 102.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.6 t -55.4 -65.84 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 tpt85 -142.99 152.73 42.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.581 ' CG2' HG11 ' A' ' 45' ' ' VAL . 47.7 t -134.86 125.17 45.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.77 151.11 39.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.604 0.716 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.445 ' O ' HG23 ' A' ' 52' ' ' THR . 53.4 Cg_endo -69.8 179.1 3.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 44.99 46.41 9.49 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 50' ' ' PRO . 17.7 p -131.13 154.56 82.03 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.579 0.704 . . . . 0.0 111.161 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 0.42 5.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.734 2.29 . . . . 0.0 112.36 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.13 -16.04 14.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -102.09 -58.08 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.2 mt -53.62 -16.36 1.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 15.0 p -69.6 170.28 11.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.506 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 5.3 p -141.29 131.66 13.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.561 0.696 . . . . 0.0 111.175 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.3 Cg_endo -69.82 134.24 28.84 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.309 0.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -45.61 142.81 2.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.0 tp -91.36 85.18 5.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -89.64 146.66 24.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.0 mp0 -45.66 158.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 66' ' ' GLN . . . 91.89 -38.43 3.2 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -55.19 85.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.764 0.316 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 64' ' ' GLY . 39.7 tt0 -54.4 150.83 8.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.1 t -102.36 105.49 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.488 HG12 ' HG ' ' A' ' 69' ' ' LEU . 89.6 t -73.98 -50.24 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.488 ' HG ' HG12 ' A' ' 68' ' ' VAL . 68.5 mt -147.07 136.36 22.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.806 HD12 HG21 ' A' ' 75' ' ' ILE . 83.1 mt -106.13 126.09 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.9 m120 48.58 26.11 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 75.37 35.11 48.88 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -130.55 151.79 50.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.822 0.344 . . . . 0.0 110.846 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.408 ' O ' ' CD2' ' A' ' 78' ' ' HIS . 25.9 p-10 -80.32 120.07 23.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.806 HG21 HD12 ' A' ' 70' ' ' ILE . 2.7 pp -119.55 7.56 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.14 -47.79 55.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.141 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.68 -30.41 65.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.837 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.408 ' CD2' ' O ' ' A' ' 74' ' ' ASP . 42.5 m-70 -68.97 140.13 55.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 80' ' ' HIS . 62.0 p -76.08 156.8 33.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.432 ' CD2' ' C ' ' A' ' 80' ' ' HIS . 4.3 t60 -36.29 -62.42 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -46.93 -55.89 7.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.465 ' HA ' ' NE2' ' A' ' 82' ' ' GLN . 8.3 mm-40 -50.36 -60.32 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.441 HG22 ' HB ' ' A' ' 75' ' ' ILE . 90.0 t -45.7 -54.93 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.4 t -50.9 -38.77 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.3 mt -69.4 -50.53 45.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 30.5 t80 -43.99 -57.2 3.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 72.0 mt -47.61 -49.84 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -55.98 -44.66 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 86' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.136 0 CA-C-O 120.834 0.349 . . . . 0.0 110.948 . . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.868 HD22 ' CE2' ' A' ' 29' ' ' PHE . 10.3 tp -99.03 130.64 45.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 27.0 mtp -129.49 126.27 38.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.0 mt -122.62 123.51 41.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.0 tp -90.87 101.87 14.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.7 m -111.81 163.68 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.5 ttm-85 -104.92 137.03 19.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.612 0.72 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.14 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 -179.989 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.81 0.338 . . . . 0.0 110.957 . . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.0 t -88.22 145.65 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.3 tp -121.92 141.02 51.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.415 HG13 HD13 ' A' ' 61' ' ' LEU . 21.5 mm -113.15 144.82 20.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -138.01 123.77 19.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.5 ptp -160.55 160.68 32.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.93 144.08 36.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.563 0.697 . . . . 0.0 110.927 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . 0.474 ' HD3' ' CZ ' ' A' ' 29' ' ' PHE . 54.2 Cg_endo -69.71 89.14 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.691 2.261 . . . . 0.0 112.356 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' GLU . 27.1 t70 -122.3 -71.21 0.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 24' ' ' ASP . 15.1 mp0 -35.53 -60.03 0.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -124.38 19.14 8.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.44 23.66 35.58 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -155.44 154.34 31.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.474 ' CZ ' ' HD3' ' A' ' 23' ' ' PRO . 26.2 m-85 -89.23 132.9 34.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.603 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -90.41 73.79 1.84 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.524 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.506 ' HZ ' HD13 ' A' ' 87' ' ' ILE . 7.5 p90 -158.5 128.01 5.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -102.6 166.01 10.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.9 m -140.38 168.89 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -153.98 171.79 18.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.8 -154.59 34.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 130.23 169.0 12.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -54.36 -21.33 9.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.924 0.392 . . . . 0.0 110.946 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -65.28 -38.88 91.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -108.22 25.07 12.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.4 39.58 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.6 ptm -131.18 151.96 79.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.559 0.695 . . . . 0.0 110.844 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.718 ' HG2' HD11 ' A' ' 44' ' ' ILE . 53.8 Cg_endo -69.77 155.93 64.64 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.0 t -87.93 107.56 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.718 HD11 ' HG2' ' A' ' 42' ' ' PRO . 4.9 mp -117.65 141.45 36.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 78.1 t -51.91 128.27 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.175 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.3 t -82.64 -63.29 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -143.38 163.79 32.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 30' ' ' GLY . 21.1 t -140.4 117.36 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.83 149.81 60.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.627 0.727 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 175.4 8.15 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 47.12 49.03 19.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.603 HG21 ' HA3' ' A' ' 30' ' ' GLY . 12.2 p -131.86 155.02 81.9 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.721 . . . . 0.0 111.159 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 2.72 3.26 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.668 2.245 . . . . 0.0 112.33 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.55 -18.58 14.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.091 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -97.14 -51.2 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.06 -22.04 66.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.7 p -64.72 161.95 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.463 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 52.5 t -124.93 125.05 25.43 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.678 0.751 . . . . 0.0 111.092 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.3 Cg_endo -69.8 179.43 22.41 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.337 -0.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -89.44 121.83 32.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.415 HD13 HG13 ' A' ' 19' ' ' ILE . 14.0 tp -69.58 94.61 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -99.88 163.06 12.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.57 150.18 36.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.65 -39.58 2.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -51.98 105.07 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.745 0.307 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -72.61 117.6 14.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.8 t -69.11 108.6 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.556 HG12 ' HG ' ' A' ' 69' ' ' LEU . 63.7 t -83.01 -54.74 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.556 ' HG ' HG12 ' A' ' 68' ' ' VAL . 85.2 mt -140.99 143.24 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.629 HG22 ' ND2' ' A' ' 71' ' ' ASN . 94.9 mt -111.48 113.39 44.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.629 ' ND2' HG22 ' A' ' 70' ' ' ILE . 55.1 m-20 58.86 45.58 15.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.21 33.09 57.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.426 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -127.91 143.78 51.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.807 0.337 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -80.03 109.41 14.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.613 ' O ' HD12 ' A' ' 75' ' ' ILE . 2.6 pp -113.71 18.04 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.75 -18.39 60.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -96.2 1.76 52.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -96.57 148.08 23.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 80' ' ' HIS . 34.4 p -88.46 156.24 19.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.495 ' C ' ' CD2' ' A' ' 80' ' ' HIS . 2.3 t60 -35.09 -55.45 0.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -56.17 -59.57 4.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -49.83 -63.11 1.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.9 t -40.35 -55.2 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 80' ' ' HIS . 41.4 t -47.42 -45.6 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.9 mp -71.58 -32.5 68.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -57.94 -42.61 85.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.572 HG23 ' CD1' ' A' ' 98' ' ' LEU . 47.0 mt -67.84 -37.48 78.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.08 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -57.32 -44.41 84.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.831 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 . . . . . 0 C--O 1.232 0.144 0 CA-C-O 120.936 0.398 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.572 ' CD1' HG23 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -92.53 153.87 18.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.478 ' N ' ' HG ' ' A' ' 98' ' ' LEU . 6.2 mtt -136.91 141.61 42.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.4 mt -124.91 113.69 18.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.3 tp -84.64 101.12 11.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.3 m -105.42 169.06 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.1 ttt85 -107.95 136.19 19.77 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 -179.968 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.407 ' CD2' ' HG3' ' A' ' 103' ' ' ARG . 29.9 mt . . . . . 0 C--O 1.232 0.142 0 CA-C-O 120.852 0.358 . . . . 0.0 110.951 . . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.1 t -96.66 148.66 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 tp -124.23 142.09 51.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.414 HD13 ' HG2' ' A' ' 59' ' ' PRO . 7.8 mm -105.14 134.36 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.7 mtm-85 -133.59 126.5 31.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -154.6 174.46 14.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -125.33 148.93 62.69 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.573 0.701 . . . . 0.0 110.909 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 130.66 19.66 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.67 2.247 . . . . 0.0 112.324 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -52.45 -176.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -54.84 -59.92 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -67.42 -18.28 65.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.81 46.98 3.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.43 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -131.74 148.48 52.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -100.56 -177.87 3.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.508 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -136.07 50.88 0.83 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 8.4 p90 -147.05 127.27 13.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -99.15 161.11 13.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.7 m -134.26 161.49 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -151.32 163.14 39.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.526 ' O ' HG22 ' A' ' 43' ' ' VAL . . . 73.66 155.21 3.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.481 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -173.19 -156.46 13.03 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -74.4 -37.68 63.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.868 0.366 . . . . 0.0 110.938 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -63.11 -14.65 51.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -115.88 7.58 14.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt 52.98 27.63 5.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 17.5 ptm -129.16 152.58 79.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.545 0.688 . . . . 0.0 110.869 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.826 ' HG2' HD11 ' A' ' 44' ' ' ILE . 54.1 Cg_endo -69.71 156.97 62.09 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.67 2.247 . . . . 0.0 112.372 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 35' ' ' GLY . 54.9 t -86.91 106.3 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.826 HD11 ' HG2' ' A' ' 42' ' ' PRO . 4.1 mp -115.48 149.76 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 32.1 t -58.37 127.56 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 t -80.23 -62.24 1.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -144.88 155.41 43.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.9 t -139.53 113.73 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.47 151.0 71.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 111.067 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 167.64 23.86 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.656 2.238 . . . . 0.0 112.321 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.56 34.97 78.27 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.544 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.508 HG21 ' HA3' ' A' ' 30' ' ' GLY . 18.9 p -116.94 154.61 49.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.589 0.709 . . . . 0.0 111.132 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -3.29 11.74 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.4 -8.73 18.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -102.78 -50.94 3.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.95 -10.9 59.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.9 p -71.72 174.35 6.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.505 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 4.6 p -142.98 129.4 10.53 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.575 0.702 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.81 134.4 29.47 Favored 'Cis proline' 0 C--O 1.231 0.148 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.313 -0.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.5 ttt180 -52.64 122.84 9.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.0 tp -77.06 99.87 5.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -107.16 160.03 15.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -49.16 139.77 10.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.8 -33.66 6.16 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.31 90.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -69.42 119.35 13.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.5 t -78.7 125.66 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.697 HG12 ' HG ' ' A' ' 69' ' ' LEU . 48.3 t -98.28 -56.05 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.697 ' HG ' HG12 ' A' ' 68' ' ' VAL . 17.7 mt -137.95 139.87 39.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.719 HD12 HG21 ' A' ' 75' ' ' ILE . 95.0 mt -104.65 117.12 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 56.74 26.84 11.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.06 38.36 19.24 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -130.62 148.61 52.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -83.16 86.0 7.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.719 HG21 HD12 ' A' ' 70' ' ' ILE . 2.7 pp -88.44 -17.69 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.67 -27.95 69.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -82.08 -7.11 59.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -101.58 149.41 24.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 81.2 p -64.9 162.82 15.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -55.72 -58.3 8.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -41.37 -65.8 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -44.62 -56.02 4.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 86' ' ' PHE . 20.0 t -44.74 -58.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 85.6 t -44.81 -44.81 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.9 mp -71.51 -25.31 62.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 83' ' ' VAL . 7.9 t80 -60.26 -57.55 12.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 22.9 mt -65.14 -35.83 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -57.08 -42.49 80.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.803 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.914 0.388 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.0 tp -113.74 107.74 16.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 24.4 mtp -108.75 99.2 8.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.523 HD23 HG23 ' A' ' 70' ' ' ILE . 2.1 mt -103.61 124.61 49.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.0 tp -90.43 100.68 13.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 6.0 m -103.47 156.44 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.407 ' HG3' ' CD2' ' A' ' 16' ' ' LEU . 33.9 ttt180 -101.75 136.8 19.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 110.83 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 179.97 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.232 0.162 0 CA-C-O 120.855 0.36 . . . . 0.0 110.903 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.1 t -93.84 120.81 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.1 tp -97.56 133.19 42.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.444 HD13 ' HG2' ' A' ' 59' ' ' PRO . 22.4 mm -104.59 104.52 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -99.49 117.17 33.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.4 ptp -147.14 174.68 11.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -128.01 150.83 74.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.558 0.694 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 133.13 24.86 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.725 2.283 . . . . 0.0 112.36 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -49.84 179.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -53.45 -57.0 12.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -70.23 -20.73 63.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.67 43.82 1.9 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -126.19 156.33 40.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -113.07 179.13 4.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -131.72 65.04 0.6 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.475 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 8.0 p90 -165.23 128.41 2.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -104.81 164.54 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.2 m -134.16 162.74 38.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -152.51 137.92 17.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.58 -171.93 14.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.498 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.76 174.81 13.53 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.544 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -53.82 -33.31 55.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.875 0.369 . . . . 0.0 110.899 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -54.02 -34.1 59.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 40' ' ' LYS . 68.1 mt-30 -118.67 28.98 7.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.457 ' N ' ' HD3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER 35.3 41.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.9 ptm -137.2 151.93 72.62 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.563 0.697 . . . . 0.0 110.915 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.741 ' O ' HD12 ' A' ' 44' ' ' ILE . 53.8 Cg_endo -69.79 142.37 47.62 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.329 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.2 t -79.99 108.16 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.741 HD12 ' O ' ' A' ' 42' ' ' PRO . 5.0 mp -116.07 148.74 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 71.4 t -52.65 124.22 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.4 t -77.71 -66.11 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 17.8 tpp85 -142.9 154.93 44.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.428 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 88.3 t -136.5 113.7 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.53 149.31 78.12 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 0.0 111.123 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 163.65 37.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.379 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 51.67 56.53 15.38 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 p -134.55 157.0 78.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.6 0.714 . . . . 0.0 111.143 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -0.39 6.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.709 2.273 . . . . 0.0 112.291 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.19 -14.13 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -102.49 -54.86 2.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.1 mt -58.88 -18.89 37.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.4 p -66.0 147.81 52.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.455 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 97.2 t -115.0 124.88 29.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.62 0.724 . . . . 0.0 111.127 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.76 163.81 80.87 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.737 -1.776 . . . . 0.0 112.358 -0.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -78.29 134.13 37.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.1 tp -90.12 99.76 12.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -108.11 160.15 16.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -52.09 132.38 32.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.64 -43.81 1.41 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.33 102.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -71.81 119.76 16.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.86 116.43 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.77 HG12 ' HG ' ' A' ' 69' ' ' LEU . 59.7 t -95.52 -54.87 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.77 ' HG ' HG12 ' A' ' 68' ' ' VAL . 13.0 mt -140.25 140.57 35.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.578 HD12 HG21 ' A' ' 75' ' ' ILE . 60.9 mt -99.35 123.7 52.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.4 p30 43.38 34.71 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.28 44.76 12.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.445 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -135.81 144.84 45.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 110.872 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.89 110.91 18.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.717 ' O ' HD12 ' A' ' 75' ' ' ILE . 2.8 pp -126.53 32.41 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -88.97 -41.81 12.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.074 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -73.36 -30.41 63.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -65.38 144.38 57.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 80' ' ' HIS . 59.3 p -78.23 151.96 32.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.421 ' O ' HG23 ' A' ' 84' ' ' VAL . 44.4 t60 -36.66 -59.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -38.65 -61.59 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 83' ' ' VAL . 10.0 tm0? -49.01 -67.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 86' ' ' PHE . 58.1 t -37.18 -65.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 80' ' ' HIS . 69.2 t -35.96 -48.67 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.7 mp -70.27 -41.26 73.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 83' ' ' VAL . 3.1 t80 -44.87 -58.97 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.7 mt -54.34 -51.21 50.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -48.39 -48.0 37.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.09 179.832 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 . . . . . 0 C--O 1.232 0.156 0 CA-C-O 120.901 0.381 . . . . 0.0 110.919 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.435 HD13 ' N ' ' A' ' 99' ' ' MET . 0.3 OUTLIER -85.23 118.88 25.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.435 ' N ' HD13 ' A' ' 98' ' ' LEU . 2.9 mtp -120.17 138.45 53.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.4 mt -136.39 132.71 35.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.6 tp -98.88 99.62 10.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 25.4 m -105.45 150.97 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -89.97 133.63 33.4 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.565 0.697 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 -179.995 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.8 mt . . . . . 0 C--O 1.231 0.113 0 CA-C-O 120.852 0.358 . . . . 0.0 110.958 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.499 ' HB ' HG23 ' A' ' 102' ' ' VAL . 92.0 t -103.0 135.28 41.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.429 HD11 ' HB3' ' A' ' 99' ' ' MET . 12.9 tp -109.25 140.86 42.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.7 mm -114.77 107.18 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -104.47 129.04 52.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.11 164.31 36.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.72 152.58 45.64 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.587 0.708 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 125.65 12.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.377 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -54.34 177.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -46.2 -48.63 17.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -83.98 -25.58 29.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.28 -33.64 3.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.444 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -49.66 128.51 17.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.444 ' CE1' HD13 ' A' ' 98' ' ' LEU . 37.3 m-85 -78.33 -58.13 3.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.492 ' O ' HG13 ' A' ' 48' ' ' VAL . . . 122.01 46.54 0.3 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.475 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -163.32 143.6 8.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.917 0.389 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -115.75 168.37 10.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.1 m -136.12 157.41 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -147.21 166.32 27.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.22 -142.15 17.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.52 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 112.0 161.75 16.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.523 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -41.51 -34.42 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.885 0.374 . . . . 0.0 110.912 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -55.18 -44.65 75.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -100.02 29.07 4.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt 39.21 32.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 19.7 ptm -132.81 150.93 77.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 110.875 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 158.42 57.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.368 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.1 t -76.45 105.22 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 64' ' ' GLY . 14.1 mm -111.81 140.94 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.9 t -53.33 124.56 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -77.94 -63.94 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 16.7 tpt180 -146.13 151.71 38.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 30' ' ' GLY . 57.6 t -137.68 107.8 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.7 143.46 71.6 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.639 0.733 . . . . 0.0 111.086 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 168.85 20.4 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.54 30.05 76.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.4 p -122.26 154.2 61.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.717 . . . . 0.0 111.119 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 1.03 4.82 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.64 2.227 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.96 -20.65 16.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.425 ' OD1' ' NE ' ' A' ' 60' ' ' ARG . 7.6 t70 -99.07 -61.62 1.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.9 mt -49.25 -18.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 9.1 p -64.81 166.57 8.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.479 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 2.1 p -135.92 125.2 15.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.731 . . . . 0.0 111.169 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 54.1 Cg_endo -69.78 133.69 26.66 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.35 -0.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.425 ' NE ' ' OD1' ' A' ' 55' ' ' ASP . 36.7 ttt180 -54.76 133.23 47.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.5 tp -76.17 100.43 5.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -103.77 162.39 13.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -57.7 141.27 49.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.588 ' O ' HG23 ' A' ' 44' ' ' ILE . . . 111.65 -42.12 2.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -38.31 114.2 0.35 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.804 0.335 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -87.73 105.22 17.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.4 t -70.2 121.85 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.081 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.521 HG12 ' HG ' ' A' ' 69' ' ' LEU . 57.6 t -99.64 -46.07 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.521 ' HG ' HG12 ' A' ' 68' ' ' VAL . 76.1 mt -140.0 141.3 36.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.985 HD12 HG21 ' A' ' 75' ' ' ILE . 43.5 mt -105.95 102.66 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 m120 63.21 30.38 15.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.75 39.45 11.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.457 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -135.2 140.68 45.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.33 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.424 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 65.6 m-20 -67.63 115.36 7.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.985 HG21 HD12 ' A' ' 70' ' ' ILE . 2.5 pp -124.21 -10.63 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.1 -7.89 57.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -109.57 17.76 21.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -125.67 156.1 39.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 42.5 p -72.37 172.61 10.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.179 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -54.24 -52.73 60.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.92 -63.12 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -42.27 -61.09 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.1 t -44.76 -62.05 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.468 ' CG1' ' HD2' ' A' ' 88' ' ' LYS . 37.3 t -43.81 -56.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.31 -32.83 67.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -58.96 -48.87 79.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 9.8 mt -77.5 -49.41 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.109 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.468 ' HD2' ' CG1' ' A' ' 84' ' ' VAL . 29.9 mtpt -50.36 -51.3 47.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 179.823 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 . . . . . 0 C--O 1.232 0.184 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.863 HD21 HD21 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -118.48 142.38 47.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.953 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.429 ' HB3' HD11 ' A' ' 18' ' ' LEU . 3.7 mtt -129.39 141.35 51.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.863 HD21 HD21 ' A' ' 98' ' ' LEU . 8.6 mt -125.75 122.97 37.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.8 tp -90.0 102.98 15.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.499 HG23 ' HB ' ' A' ' 17' ' ' VAL . 14.1 m -106.86 155.19 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -97.8 135.91 21.37 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.563 0.697 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo . . . . . 0 N--CA 1.465 -0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.373 -179.973 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.463 HD13 HD21 ' A' ' 101' ' ' LEU . 16.4 mt . . . . . 0 C--O 1.231 0.107 0 CA-C-O 120.853 0.359 . . . . 0.0 110.932 . . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.476 HG13 ' HG3' ' A' ' 59' ' ' PRO . 96.5 t -88.32 117.37 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.763 HD11 ' CG ' ' A' ' 99' ' ' MET . 19.1 tp -93.95 142.11 27.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.3 mm -117.79 113.32 41.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -115.68 120.37 39.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.4 ptp -151.61 167.87 26.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -116.79 153.39 49.26 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.604 0.716 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 112.42 3.07 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -50.89 177.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -47.57 -54.46 11.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -84.77 29.37 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 45.21 48.86 10.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.525 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -126.48 113.58 17.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.357 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.464 ' CE1' HD22 ' A' ' 98' ' ' LEU . 38.7 m-85 -56.49 -56.79 16.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.404 ' O ' HG13 ' A' ' 48' ' ' VAL . . . 114.33 46.32 0.64 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -165.34 152.14 10.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -117.19 161.55 19.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.8 m -128.61 159.56 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -147.94 146.93 29.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.57 ' O ' HG22 ' A' ' 43' ' ' VAL . . . 89.89 163.41 39.18 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.5 165.94 27.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -42.66 -40.15 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.872 0.368 . . . . 0.0 110.923 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.21 -40.81 25.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 40' ' ' LYS . 30.6 mt-30 -106.55 35.35 3.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 39' ' ' GLN . 14.7 mmmt 34.41 41.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.3 ptm -141.52 153.12 65.12 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.482 0.658 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.523 ' HG2' HD11 ' A' ' 44' ' ' ILE . 53.8 Cg_endo -69.72 161.53 45.58 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.248 . . . . 0.0 112.324 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 35' ' ' GLY . 62.0 t -96.37 98.17 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.155 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.523 HD11 ' HG2' ' A' ' 42' ' ' PRO . 4.7 mp -107.01 144.81 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.3 t -50.32 136.96 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 t -93.36 -62.56 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.815 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 9.1 tpp180 -144.76 152.39 40.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.449 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 48.1 t -134.81 127.93 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.138 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.35 145.76 30.21 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.556 0.693 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 174.9 8.85 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.328 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.48 40.95 93.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.7 p -134.45 152.35 77.77 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.611 0.72 . . . . 0.0 111.075 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 2.75 3.26 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.65 2.234 . . . . 0.0 112.328 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -102.49 -19.73 14.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -98.39 -52.52 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.0 mt -58.67 -32.77 69.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 22.1 p -53.54 158.12 1.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.475 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 19.9 t -120.85 124.64 27.4 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.635 0.731 . . . . 0.0 111.086 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.476 ' HG3' HG13 ' A' ' 17' ' ' VAL . 53.1 Cg_endo -69.8 173.18 45.81 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.349 -0.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -85.7 119.63 26.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 33.9 tp -70.86 91.47 0.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -108.6 169.01 8.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -52.04 149.33 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.55 -44.15 1.53 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -44.37 106.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.748 0.308 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -85.98 114.65 23.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.3 t -69.08 127.16 30.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.581 HG12 ' HG ' ' A' ' 69' ' ' LEU . 39.5 t -105.13 -47.17 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.581 ' HG ' HG12 ' A' ' 68' ' ' VAL . 14.7 mt -149.92 146.55 27.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.642 ' CG1' HG21 ' A' ' 75' ' ' ILE . 7.3 mm -100.96 116.26 44.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 52.26 38.86 25.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 69.41 41.05 79.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.549 ' HD2' ' CZ ' ' A' ' 86' ' ' PHE . 23.4 ttm-85 -131.21 145.35 51.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.465 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 25.9 t0 -69.85 112.89 6.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.642 HG21 ' CG1' ' A' ' 70' ' ' ILE . 2.6 pp -120.97 -31.95 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.516 ' N ' HD12 ' A' ' 75' ' ' ILE . . . -51.93 -16.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -99.85 21.09 13.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -128.65 161.08 30.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 80' ' ' HIS . 80.7 p -77.19 149.16 35.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.44 ' CD2' HG23 ' A' ' 84' ' ' VAL . 10.9 t-160 -35.14 -60.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -39.72 -61.11 0.87 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -41.41 -52.68 3.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.8 t -54.15 -51.66 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.44 HG23 ' CD2' ' A' ' 80' ' ' HIS . 97.7 t -57.36 -43.62 82.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.46 -41.8 93.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.549 ' CZ ' ' HD2' ' A' ' 73' ' ' ARG . 6.3 t80 -60.64 -59.23 5.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 67.9 mt -43.13 -65.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 89' ' ' ALA . 45.7 mttm -52.79 -51.69 59.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 88' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.851 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 . . . . . 0 C--O 1.232 0.176 0 CA-C-O 120.88 0.371 . . . . 0.0 110.871 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.564 HD21 HD21 ' A' ' 100' ' ' LEU . 16.7 tp -119.92 126.06 49.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.763 ' CG ' HD11 ' A' ' 18' ' ' LEU . 5.4 ttm -108.25 103.46 12.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.564 HD21 HD21 ' A' ' 98' ' ' LEU . 14.0 mt -102.46 153.56 19.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.463 HD21 HD13 ' A' ' 16' ' ' LEU . 14.2 tp -123.05 100.92 7.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.3 m -109.06 142.4 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.108 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -88.22 136.75 31.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.595 0.712 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.169 0 C-N-CA 122.616 2.21 . . . . 0.0 112.337 -179.974 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.858 0.361 . . . . 0.0 110.935 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.59 ' CG1' HG23 ' A' ' 102' ' ' VAL . 10.2 p -91.45 149.63 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.83 HD11 ' HG2' ' A' ' 99' ' ' MET . 9.1 tp -114.57 144.97 42.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.519 HD13 ' HG2' ' A' ' 59' ' ' PRO . 7.0 mm -116.73 123.68 71.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -121.64 136.98 54.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . 0.527 ' HE1' HD12 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -162.8 156.42 20.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -118.05 149.53 45.71 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.629 0.728 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 149.31 66.72 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.2 -176.06 5.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.818 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -49.94 -53.12 28.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -67.01 -18.95 65.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.43 43.25 10.61 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.5 mtp85 -140.12 144.95 37.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.429 ' CE2' ' CD1' ' A' ' 98' ' ' LEU . 95.8 m-85 -96.42 -177.28 3.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.591 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -128.5 73.06 0.46 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.451 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 25.6 p90 -165.37 130.44 2.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.372 . . . . 0.0 110.903 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -107.71 158.2 17.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.8 m -132.93 166.63 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -151.42 134.28 15.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.713 ' O ' HG22 ' A' ' 43' ' ' VAL . . . 108.53 157.15 18.72 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.28 -159.46 18.76 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.436 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.448 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 35.6 t80 -79.15 -30.11 43.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.923 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.453 ' HB3' ' NE2' ' A' ' 39' ' ' GLN . 2.3 t70 -71.03 -38.23 72.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' A' ' 38' ' ' ASP . 19.8 mp0 -88.63 15.11 8.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.4 mttt 42.5 29.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.7 ptm -130.44 152.41 80.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.561 0.696 . . . . 0.0 110.869 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.44 ' HG2' ' CD1' ' A' ' 44' ' ' ILE . 53.9 Cg_endo -69.77 157.32 60.77 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.332 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.713 HG22 ' O ' ' A' ' 35' ' ' GLY . 60.5 t -91.61 99.85 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.44 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 4.2 mp -114.16 142.87 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 74.2 t -53.38 128.39 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.3 p -87.45 -63.77 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -138.72 149.63 45.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.1 t -135.77 119.38 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.07 146.21 48.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.576 0.703 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 177.91 5.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.736 2.291 . . . . 0.0 112.324 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.52 35.66 45.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.591 HG21 ' HA3' ' A' ' 30' ' ' GLY . 22.7 p -123.84 154.09 67.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.541 0.686 . . . . 0.0 111.151 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 2.45 3.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.378 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -110.97 -13.45 14.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -107.47 -8.82 16.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.0 mt -108.64 -29.19 8.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.1 p -54.1 155.6 3.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.456 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 38.3 t -117.84 124.72 28.56 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.721 . . . . 0.0 111.129 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.519 ' HG2' HD13 ' A' ' 19' ' ' ILE . 53.9 Cg_endo -69.75 169.6 62.51 Favored 'Cis proline' 0 C--N 1.341 0.152 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.328 -0.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -83.7 139.21 32.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 24.7 tp -86.29 84.4 7.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -85.84 150.33 24.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -50.32 137.95 17.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 66' ' ' GLN . . . 111.53 -34.39 5.29 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.429 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -51.99 90.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.794 0.331 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 64' ' ' GLY . 10.9 tt0 -64.43 122.71 17.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.4 t -80.99 127.3 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.1 t -102.14 -34.46 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 74' ' ' ASP . 72.1 mt -151.44 132.85 14.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 99.0 mt -104.61 105.54 18.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 61.96 40.06 12.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.841 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.57 46.82 82.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.592 ' O ' HG23 ' A' ' 75' ' ' ILE . 10.4 tpt180 -137.82 125.75 22.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.341 . . . . 0.0 110.836 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.459 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -61.95 88.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' ' 73' ' ' ARG . 1.9 pp -93.85 -15.74 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.29 -24.16 6.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.085 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 37' ' ' TYR . 8.4 mm-40 -95.72 -29.02 14.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -64.09 142.76 58.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.9 p -70.72 153.37 42.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 31.0 t60 -47.49 -47.05 27.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.26 -61.94 1.92 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 83' ' ' VAL . 47.1 mm-40 -54.85 -63.9 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.479 HG22 ' HB ' ' A' ' 75' ' ' ILE . 31.5 t -36.15 -62.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.644 HG12 ' HE2' ' A' ' 88' ' ' LYS . 20.9 t -41.93 -47.44 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.5 mp -68.48 -46.98 68.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.451 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 5.6 t80 -42.59 -45.33 4.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 52.3 mt -61.18 -45.22 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.644 ' HE2' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -64.91 -25.6 67.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.823 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 86' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 179.827 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 . . . . . 0 C--O 1.232 0.167 0 CA-C-O 120.905 0.383 . . . . 0.0 110.872 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.462 HD21 HD21 ' A' ' 100' ' ' LEU . 1.2 tt -118.02 133.87 55.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.83 ' HG2' HD11 ' A' ' 18' ' ' LEU . 5.2 ttm -129.47 120.49 25.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.527 HD12 ' HE1' ' A' ' 21' ' ' MET . 5.7 mt -117.68 158.59 24.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 101' ' ' LEU . 8.9 tp -119.38 106.06 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.59 HG23 ' CG1' ' A' ' 17' ' ' VAL . 16.1 m -117.38 160.75 16.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -105.06 128.31 26.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.583 0.706 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.381 179.98 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 mp . . . . . 0 C--O 1.231 0.111 0 CA-C-O 120.834 0.35 . . . . 0.0 110.959 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.4 t -82.47 133.48 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.8 tp -110.94 141.29 44.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.409 HG13 HD13 ' A' ' 61' ' ' LEU . 35.5 mm -111.96 135.17 52.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -135.01 124.78 25.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.5 ptp -149.51 169.44 20.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.1 pttt -126.94 150.93 73.17 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.601 0.715 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 135.75 31.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.652 2.235 . . . . 0.0 112.324 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -69.58 176.82 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -46.82 -46.6 20.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -67.77 -27.29 66.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.75 41.04 5.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.467 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -135.27 148.08 49.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.585 ' CZ ' HD22 ' A' ' 98' ' ' LEU . 73.1 m-85 -87.9 -175.04 4.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -136.89 59.94 0.63 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -162.74 133.37 4.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.37 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -103.11 157.83 16.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.8 m -131.36 140.21 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -132.63 158.55 41.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.71 -145.4 17.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.09 171.07 23.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -42.45 -35.58 1.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.357 . . . . 0.0 110.913 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -46.29 -43.0 15.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 41' ' ' MET . 13.5 mm-40 -114.92 38.1 3.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 39' ' ' GLN . 11.9 mttp 35.31 31.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 39' ' ' GLN . 19.0 ptm -127.95 152.71 77.78 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.558 0.694 . . . . 0.0 110.898 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 150.05 67.69 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.311 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.3 t -70.15 96.37 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.5 mm -101.92 137.95 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.091 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 71.0 t -50.77 132.62 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.5 t -85.54 -63.32 1.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -146.03 159.42 43.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.8 t -131.97 125.96 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.409 ' HB3' HG21 ' A' ' 52' ' ' THR . . . -88.74 146.31 36.79 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.566 0.698 . . . . 0.0 111.133 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 163.95 36.39 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 50.03 39.77 34.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.409 HG21 ' HB3' ' A' ' 49' ' ' ALA . 33.1 p -113.52 153.73 45.69 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.567 0.699 . . . . 0.0 111.133 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 2.88 3.14 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.711 2.274 . . . . 0.0 112.345 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -107.24 -19.07 13.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.088 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -98.34 -52.64 3.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.3 mt -53.62 -34.0 56.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 14.4 p -64.61 166.2 8.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.674 HG23 ' HA ' ' A' ' 59' ' ' PRO . 4.5 p -134.97 137.57 27.49 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.578 0.704 . . . . 0.0 111.154 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.674 ' HA ' HG23 ' A' ' 58' ' ' VAL . 53.3 Cg_endo -69.77 133.16 24.6 Favored 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.342 0.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.401 ' N ' ' HA ' ' A' ' 58' ' ' VAL . 3.6 ttm105 -52.48 131.56 33.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.557 HD12 ' OD2' ' A' ' 65' ' ' ASP . 30.7 tp -79.29 89.37 4.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -94.75 150.94 19.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.1 mp0 -46.35 145.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 65' ' ' ASP . . . 109.29 -43.84 1.63 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.557 ' OD2' HD12 ' A' ' 61' ' ' LEU . 74.7 m-20 -38.09 122.15 1.01 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.774 0.321 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -89.79 109.26 20.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.4 t -77.9 110.75 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.595 HG12 ' HG ' ' A' ' 69' ' ' LEU . 92.6 t -88.81 -45.46 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.595 ' HG ' HG12 ' A' ' 68' ' ' VAL . 86.8 mt -148.17 149.57 32.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.69 HG23 HD23 ' A' ' 100' ' ' LEU . 70.1 mt -121.09 121.77 65.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 53.5 41.82 32.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.73 34.74 61.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.576 ' O ' HG23 ' A' ' 75' ' ' ILE . 8.6 mmm180 -129.05 119.84 24.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.329 . . . . 0.0 110.869 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.456 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 3.6 m-20 -47.07 119.35 2.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.576 HG23 ' O ' ' A' ' 73' ' ' ARG . 2.7 pp -115.37 -32.61 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.565 ' N ' HD12 ' A' ' 75' ' ' ILE . . . -45.92 -46.87 16.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -62.49 -30.63 71.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.522 ' CG ' ' HG2' ' A' ' 82' ' ' GLN . 6.3 m170 -73.95 164.43 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' HIS . 14.0 p -102.8 152.16 21.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.171 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.419 ' CD2' ' C ' ' A' ' 80' ' ' HIS . 5.2 t60 -37.33 -64.11 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -38.36 -38.74 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.522 ' HG2' ' CG ' ' A' ' 78' ' ' HIS . 26.7 tp60 -80.09 -57.78 3.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.3 t -41.21 -41.75 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.46 HG12 ' HE2' ' A' ' 88' ' ' LYS . 98.5 t -58.97 -57.83 9.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 86' ' ' PHE . 4.0 mp -60.68 -50.1 74.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 85' ' ' LEU . 22.1 t80 -37.89 -46.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 35.4 mt -68.0 -52.05 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.46 ' HE2' HG12 ' A' ' 84' ' ' VAL . 45.2 mtmt -51.93 -40.36 60.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.804 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 . . . . . 0 C--O 1.232 0.133 0 CA-C-O 120.911 0.386 . . . . 0.0 110.892 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.585 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 8.3 tp -114.94 131.34 56.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 9.7 mtt -119.22 134.11 55.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.69 HD23 HG23 ' A' ' 70' ' ' ILE . 6.6 mt -132.76 131.56 41.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.1 tp -98.77 104.35 16.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 17.3 m -108.52 158.12 8.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -95.03 134.21 25.09 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.617 0.722 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.722 2.282 . . . . 0.0 112.343 179.986 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.4 mt . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.873 0.368 . . . . 0.0 110.927 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.3 t -85.25 139.87 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.2 tp -121.57 129.02 52.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.424 HD13 ' HG2' ' A' ' 59' ' ' PRO . 25.7 mm -92.82 119.87 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -117.87 132.37 56.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.37 159.14 16.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -112.96 144.47 31.14 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.701 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 125.01 11.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.738 2.292 . . . . 0.0 112.331 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' GLU . 1.2 p30 -58.02 179.53 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' ASP . 33.9 mp0 -34.53 -61.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -76.68 -27.34 55.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.34 42.27 8.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -105.38 84.82 2.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.47 ' CZ ' HD23 ' A' ' 98' ' ' LEU . 13.7 m-85 -53.33 125.06 16.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.527 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -82.5 71.0 3.06 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.472 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.496 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 1.8 p90 -160.77 125.53 3.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -108.67 150.2 27.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.9 m -121.49 161.54 21.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -148.0 150.83 34.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.46 -156.13 18.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.75 160.26 10.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -44.79 -32.24 1.48 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.873 0.368 . . . . 0.0 110.927 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -57.35 -43.33 83.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' MET . 51.5 mm-40 -101.56 29.22 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' GLN . 0.2 OUTLIER 37.72 31.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 39' ' ' GLN . 9.5 ptm -132.15 153.54 81.35 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.574 0.702 . . . . 0.0 110.879 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.42 ' HG2' ' CD1' ' A' ' 44' ' ' ILE . 53.1 Cg_endo -69.8 152.29 69.04 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.669 2.246 . . . . 0.0 112.283 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.0 t -85.55 103.59 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.42 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 4.2 mp -118.23 139.65 44.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.5 t -50.33 111.66 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 t -61.46 -63.25 1.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -146.1 167.51 23.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 30' ' ' GLY . 42.7 t -140.79 131.0 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.52 145.77 34.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.568 0.699 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 160.91 47.97 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.262 . . . . 0.0 112.332 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.73 34.31 70.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.527 HG21 ' HA3' ' A' ' 30' ' ' GLY . 75.4 p -111.61 151.82 43.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.548 0.69 . . . . 0.0 111.151 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 1.66 4.21 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.317 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.34 -19.85 13.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.059 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -99.09 -45.03 6.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mt -59.31 -30.65 68.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.3 p -71.18 136.32 48.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.677 HG23 ' HA ' ' A' ' 59' ' ' PRO . 4.2 p -97.21 137.66 21.21 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.628 0.728 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.677 ' HA ' HG23 ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.7 138.22 47.78 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.371 -0.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -55.34 115.47 2.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.3 tp -64.64 100.42 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.415 ' O ' ' CG ' ' A' ' 65' ' ' ASP . 38.4 p30 -111.16 148.77 32.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -40.07 142.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.68 -43.35 1.71 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -47.39 100.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.714 0.292 . . . . 0.0 110.851 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -76.04 140.55 41.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.8 t -92.67 134.29 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.7 t -110.63 -39.78 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.416 ' CD2' ' HA ' ' A' ' 74' ' ' ASP . 95.3 mt -152.59 148.04 26.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.876 HD12 HG21 ' A' ' 75' ' ' ILE . 70.8 mt -113.85 117.1 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 52.58 34.09 14.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.05 42.63 58.71 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.8 ttt-85 -136.98 139.33 41.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.416 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 8.0 t70 -74.22 102.18 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.876 HG21 HD12 ' A' ' 70' ' ' ILE . 2.2 pp -105.6 15.48 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.99 -40.64 31.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -66.93 -31.25 71.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -71.61 164.16 26.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 67.5 p -102.93 159.66 15.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.493 ' O ' HG23 ' A' ' 84' ' ' VAL . 79.6 t60 -44.05 -58.98 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.765 ' O ' HD13 ' A' ' 85' ' ' LEU . 13.7 m-20 -40.03 -35.01 0.33 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -84.94 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.3 t -38.81 -39.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 80' ' ' HIS . 96.0 t -61.37 -49.42 84.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.765 HD13 ' O ' ' A' ' 81' ' ' ASP . 10.9 mp -64.94 -48.01 75.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.409 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 2.5 t80 -40.06 -64.68 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 23.4 mt -53.31 -47.17 57.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -55.21 -38.07 67.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 86' ' ' PHE . . . . . . . . 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 . . . . . 0 C--O 1.232 0.149 0 CA-C-O 120.944 0.402 . . . . 0.0 110.858 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.47 HD23 ' CZ ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -75.26 108.13 7.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.7 mtt -116.26 141.31 48.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.3 mt -138.91 132.89 31.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.0 tp -95.72 100.23 11.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.2 m -103.42 153.08 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -101.7 133.41 20.8 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.543 0.687 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo . . . . . 0 C--N 1.341 0.138 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 179.976 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mm? . . . . . 0 C--O 1.231 0.104 0 CA-C-O 120.869 0.366 . . . . 0.0 110.93 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.465 HG13 ' HG3' ' A' ' 59' ' ' PRO . 70.9 t -85.2 117.36 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 tp -97.52 121.17 39.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.9 mm -88.57 138.04 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 20' ' ' ARG . 24.1 mtm105 -137.5 122.92 19.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.11 172.93 16.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -122.94 152.71 63.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.523 0.677 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 124.02 10.68 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -47.97 170.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -50.53 -42.25 54.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -84.47 20.31 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 44.04 57.44 4.81 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -147.51 128.53 14.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.819 0.342 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.437 ' CE1' HD22 ' A' ' 98' ' ' LEU . 97.6 m-85 -81.55 -176.98 6.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -142.41 74.55 0.34 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -162.8 127.79 3.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.379 . . . . 0.0 110.929 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 46' ' ' SER . 7.9 m120 -96.63 133.91 40.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.4 m -115.91 163.96 12.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -143.48 149.77 38.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.42 178.14 31.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.532 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 152.22 166.44 14.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -45.72 -33.56 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.948 0.404 . . . . 0.0 110.963 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.48 -45.11 73.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.841 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 40' ' ' LYS . 10.3 mm-40 -104.43 27.98 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' GLN . 0.6 OUTLIER 35.37 43.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.0 ptm -134.98 152.72 77.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.543 0.687 . . . . 0.0 110.886 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.58 ' HG2' HD11 ' A' ' 44' ' ' ILE . 53.6 Cg_endo -69.75 152.3 69.33 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.229 . . . . 0.0 112.311 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.438 ' C ' HD12 ' A' ' 44' ' ' ILE . 25.1 t -85.23 112.12 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.14 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.58 HD11 ' HG2' ' A' ' 42' ' ' PRO . 3.9 mp -122.04 136.74 57.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.694 HG23 ' OD1' ' A' ' 65' ' ' ASP . 18.6 t -57.9 110.78 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 32' ' ' ASN . 5.9 t -63.86 -69.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -130.15 158.5 39.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.72 118.1 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.15 145.94 53.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.589 0.709 . . . . 0.0 111.076 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 161.03 47.51 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.269 . . . . 0.0 112.346 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.04 38.73 96.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.508 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.4 p -122.06 152.4 59.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.59 0.709 . . . . 0.0 111.13 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.95 3.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -100.67 -18.42 16.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.45 ' OD1' ' CG ' ' A' ' 60' ' ' ARG . 3.9 t70 -101.08 -63.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.5 mt -45.38 -32.73 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.9 p -60.78 162.23 7.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.439 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 85.2 t -124.86 124.39 25.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.655 0.74 . . . . 0.0 111.103 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.465 ' HG3' HG13 ' A' ' 17' ' ' VAL . 53.5 Cg_endo -69.79 168.01 69.11 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.357 -0.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.45 ' CG ' ' OD1' ' A' ' 55' ' ' ASP . 20.0 ttp180 -86.73 120.43 28.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.43 HD21 HG21 ' A' ' 45' ' ' VAL . 11.0 tp -64.19 112.62 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.402 ' CB ' HH21 ' A' ' 60' ' ' ARG . 4.6 p30 -117.51 167.61 11.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -61.15 133.28 55.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.49 -32.12 4.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.694 ' OD1' HG23 ' A' ' 45' ' ' VAL . 2.6 p30 -50.72 129.8 23.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.767 0.318 . . . . 0.0 110.832 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -107.64 104.39 13.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.2 t -68.58 128.71 32.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.5 t -112.68 -45.91 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.7 mt -139.64 131.12 27.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.833 HD12 HG21 ' A' ' 75' ' ' ILE . 92.1 mt -103.1 106.36 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 58.71 32.67 22.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 76.28 44.02 18.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -138.31 134.26 34.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.853 0.358 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -72.1 92.07 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.833 HG21 HD12 ' A' ' 70' ' ' ILE . 2.3 pp -93.72 4.68 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.75 -45.98 63.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -63.83 -30.99 72.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -70.94 143.29 50.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.817 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.401 ' O ' HG23 ' A' ' 83' ' ' VAL . 43.1 p -75.97 170.77 15.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -51.87 -54.56 27.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -52.8 -46.87 67.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 83' ' ' VAL . 11.5 mm100 -59.85 -61.84 2.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 82' ' ' GLN . 69.9 t -36.65 -65.66 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' VAL . 95.8 t -36.19 -56.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.26 -47.42 84.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -42.13 -47.46 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 21.2 mt -56.81 -51.6 65.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -45.71 -42.76 12.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.801 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 . . . . . 0 C--O 1.232 0.15 0 CA-C-O 120.864 0.364 . . . . 0.0 110.91 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.449 HD21 HD21 ' A' ' 100' ' ' LEU . 2.5 tp -93.63 146.62 23.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 6.3 mtt -136.6 107.91 6.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.449 HD21 HD21 ' A' ' 98' ' ' LEU . 5.5 mt -112.96 113.81 26.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 23.9 tp -83.12 101.64 11.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 33.2 m -106.77 157.28 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 57.1 ttt-85 -99.71 129.58 28.47 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.61 0.719 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo . . . . . 0 C--N 1.342 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.393 -179.99 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.2 mm? . . . . . 0 C--O 1.231 0.102 0 CA-C-O 120.892 0.377 . . . . 0.0 110.899 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.5 t -99.34 145.69 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 100' ' ' LEU . 4.5 tp -125.99 131.58 52.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.3 mm -99.15 109.89 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -102.79 122.54 44.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -155.64 175.77 13.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -130.6 151.38 78.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.589 0.709 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 161.78 44.61 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -87.2 -177.61 6.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -62.75 -8.13 6.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -120.05 23.4 11.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.66 49.01 22.55 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -130.34 155.6 46.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.379 . . . . 0.0 110.828 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.526 ' CE2' HD22 ' A' ' 98' ' ' LEU . 96.6 m-85 -114.74 179.17 4.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -123.38 58.63 0.62 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -166.31 133.3 2.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -104.28 167.7 9.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.9 m -141.51 157.06 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -147.06 158.29 43.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.99 -151.89 19.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.61 169.58 15.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -43.76 -27.66 0.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -54.52 -44.39 72.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 41' ' ' MET . 40.1 mm-40 -114.39 28.33 8.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' GLN . 31.8 mttt 37.86 31.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 39' ' ' GLN . 15.4 ptm -117.8 152.17 49.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.576 0.703 . . . . 0.0 110.89 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 147.64 63.61 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.694 2.263 . . . . 0.0 112.354 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.466 HG21 HD13 ' A' ' 75' ' ' ILE . 58.2 t -72.34 101.53 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.8 mm -110.26 138.05 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.1 t -50.23 134.31 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.7 t -88.87 -60.49 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 15.2 tpp180 -146.18 152.61 39.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.441 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 25.0 t -138.36 125.19 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.169 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.87 152.57 39.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.576 0.703 . . . . 0.0 111.156 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.401 ' O ' HG23 ' A' ' 52' ' ' THR . 53.5 Cg_endo -69.74 173.38 11.04 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.303 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 45.91 42.31 11.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.443 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 50' ' ' PRO . 16.6 p -117.48 154.95 50.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.539 0.685 . . . . 0.0 111.147 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -0.62 7.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.626 2.217 . . . . 0.0 112.371 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -107.32 -27.12 10.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -91.19 -53.0 4.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 mt -52.36 -38.26 58.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 16.4 p -62.08 158.6 16.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.575 HG13 ' HA ' ' A' ' 59' ' ' PRO . 94.9 t -120.31 135.33 24.41 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.586 0.707 . . . . 0.0 111.183 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.575 ' HA ' HG13 ' A' ' 58' ' ' VAL . 53.4 Cg_endo -69.79 143.52 74.15 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.308 0.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -59.07 121.85 12.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 29.0 tp -72.18 104.77 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -115.04 166.59 11.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -56.43 148.62 18.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.24 -41.54 2.12 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.445 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -42.75 117.24 1.0 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.75 0.31 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -91.79 108.2 19.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.3 105.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.089 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.3 t -76.74 -46.6 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' A' ' 74' ' ' ASP . 78.2 mt -153.48 139.29 18.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.732 HD12 HG21 ' A' ' 75' ' ' ILE . 50.0 mt -107.79 123.51 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.149 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 53.56 33.1 15.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.58 33.56 87.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.514 ' O ' HG23 ' A' ' 75' ' ' ILE . 47.3 mtp180 -130.55 132.92 45.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.917 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.458 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 9.6 p-10 -57.4 115.12 2.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.732 HG21 HD12 ' A' ' 70' ' ' ILE . 2.5 pp -117.1 -14.86 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.16 -12.09 61.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -102.94 -5.18 23.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -99.39 163.25 12.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.7 p -82.22 159.36 23.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -43.76 -60.36 1.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -47.62 -53.27 15.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -49.84 -44.37 49.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.23 -46.94 91.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 89.9 t -60.43 -43.69 94.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.63 -36.56 78.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.488 ' CE1' ' HD3' ' A' ' 73' ' ' ARG . 86.3 t80 -60.45 -58.28 9.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 71.0 mt -48.7 -36.03 7.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -67.17 -41.3 86.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.868 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 . . . . . 0 C--O 1.232 0.158 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.526 HD22 ' CE2' ' A' ' 29' ' ' PHE . 14.0 tp -86.21 132.51 33.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 4.0 mtt -116.71 108.88 16.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.471 ' O ' HD12 ' A' ' 18' ' ' LEU . 8.5 mt -115.75 141.27 48.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.9 tp -113.54 101.49 9.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.9 m -106.6 156.29 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -91.07 135.38 28.57 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.639 0.733 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo . . . . . 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 -179.987 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.477 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.109 0 CA-C-O 120.844 0.354 . . . . 0.0 110.907 . . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.3 t -87.42 140.75 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 tp -114.18 134.28 55.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.1 mm -106.81 113.61 43.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.3 mtm105 -111.48 126.05 54.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.84 173.15 17.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . 0.419 ' C ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -119.83 152.54 53.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.64 0.733 . . . . 0.0 110.881 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 135.07 29.45 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -51.98 175.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -52.25 -46.11 65.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -78.87 -28.17 44.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.09 52.95 0.91 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 mtp-105 -144.52 141.01 29.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.798 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -90.88 -177.14 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.597 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -135.25 67.61 0.55 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.515 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -158.39 130.15 6.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -101.02 151.16 22.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.7 m -131.59 154.23 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.196 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.0 pttt -137.48 140.69 41.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.401 ' HA2' ' CG ' ' A' ' 41' ' ' MET . . . 118.7 -172.1 14.39 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.506 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.76 166.25 10.62 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.527 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -48.93 -31.58 7.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.875 0.369 . . . . 0.0 110.905 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -62.52 -44.37 96.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' LYS . 13.9 mt-30 -97.59 18.56 15.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' GLN . 4.8 mmmm 36.01 36.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.401 ' CG ' ' HA2' ' A' ' 35' ' ' GLY . 12.9 ptm -128.33 153.07 78.96 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.592 0.71 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 156.86 62.3 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.735 2.29 . . . . 0.0 112.382 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.71 115.74 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.1 mp -134.07 134.67 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.17 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.9 t -51.58 128.42 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.3 t -88.57 -52.12 5.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -144.61 157.74 44.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.455 HG21 ' HA ' ' A' ' 62' ' ' ASN . 61.8 t -137.96 113.37 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.59 148.32 61.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.521 0.677 . . . . 0.0 111.113 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 176.19 7.14 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 55.01 32.44 56.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.597 HG21 ' HA3' ' A' ' 30' ' ' GLY . 31.6 p -121.22 153.89 58.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.593 0.711 . . . . 0.0 111.16 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -0.81 7.49 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.267 . . . . 0.0 112.314 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -96.12 -22.08 17.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.422 ' CG ' ' HG3' ' A' ' 60' ' ' ARG . 2.6 t70 -96.75 -64.95 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.4 mt -44.43 -42.01 6.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 13.7 p -53.71 153.85 4.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.476 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 97.8 t -115.94 124.71 29.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.609 0.719 . . . . 0.0 111.099 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.476 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.73 172.27 49.67 Favored 'Cis proline' 0 C--O 1.231 0.141 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.299 -0.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.422 ' HG3' ' CG ' ' A' ' 55' ' ' ASP . 19.6 ttp180 -89.08 114.37 25.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.5 tp -60.03 127.37 31.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.455 ' HA ' HG21 ' A' ' 48' ' ' VAL . 5.2 p30 -141.3 169.22 18.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 12.3 mp0 -56.15 147.2 21.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 66' ' ' GLN . . . 103.96 -43.76 1.61 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -51.27 91.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.742 0.306 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 64' ' ' GLY . 36.8 tt0 -66.18 129.64 40.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.5 t -85.19 107.84 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.549 HG12 ' HG ' ' A' ' 69' ' ' LEU . 57.0 t -85.65 -40.48 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.549 ' HG ' HG12 ' A' ' 68' ' ' VAL . 63.2 mt -153.96 137.56 16.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.7 mt -104.73 116.55 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 62.87 29.18 16.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.01 30.23 68.05 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.8 mtt85 -129.69 150.67 50.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -77.46 126.94 31.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.4 pp -129.99 -5.76 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.41 -44.22 72.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -60.67 -28.51 68.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -71.33 152.51 43.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.5 p -93.79 167.25 11.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.789 ' O ' HG23 ' A' ' 84' ' ' VAL . 11.7 t60 -42.49 -55.24 3.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -52.22 -52.88 49.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 85' ' ' LEU . 34.2 mt-30 -58.33 -67.88 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.699 ' O ' HD12 ' A' ' 87' ' ' ILE . 24.1 t -35.94 -46.86 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 80' ' ' HIS . 85.6 t -57.32 -45.87 85.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 82' ' ' GLN . 12.9 mt -69.75 -27.1 64.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -57.04 -57.94 10.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.708 ' H ' HD12 ' A' ' 87' ' ' ILE . 5.0 mp -64.39 -49.41 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt -46.54 -44.18 17.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.785 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 . . . . . 0 C--O 1.231 0.117 0 CA-C-O 120.859 0.361 . . . . 0.0 110.875 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.742 HD21 ' CD2' ' A' ' 100' ' ' LEU . 1.4 tt -98.47 154.62 17.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.648 ' N ' HD23 ' A' ' 98' ' ' LEU . 3.8 mtp -129.19 149.1 51.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.742 ' CD2' HD21 ' A' ' 98' ' ' LEU . 22.6 mt -132.94 120.91 22.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.6 tp -91.75 99.93 12.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.8 m -106.12 171.79 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.451 ' CD ' ' HD2' ' A' ' 104' ' ' PRO . 0.5 OUTLIER -108.25 137.43 19.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.619 0.723 . . . . 0.0 110.866 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.451 ' HD2' ' CD ' ' A' ' 103' ' ' ARG . 53.9 Cg_endo . . . . . 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.369 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 mt . . . . . 0 C--O 1.231 0.096 0 CA-C-O 120.842 0.353 . . . . 0.0 110.909 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 81.5 t -95.97 128.99 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.859 HD21 ' HE ' ' A' ' 20' ' ' ARG . 17.3 tp -107.13 138.68 42.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.423 HD13 ' HG2' ' A' ' 59' ' ' PRO . 15.9 mm -109.5 116.29 51.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.859 ' HE ' HD21 ' A' ' 18' ' ' LEU . 40.0 mtt180 -120.25 115.6 23.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.89 171.35 14.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm -122.77 152.91 63.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.71 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 122.51 9.2 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.727 2.285 . . . . 0.0 112.362 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -55.85 -177.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -55.92 -37.25 68.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 27' ' ' GLY . 3.9 m-20 -85.46 27.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 26' ' ' ASN . . . 34.79 51.0 0.79 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.482 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.1 144.93 26.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.898 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -96.62 164.56 12.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -110.66 68.72 0.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.459 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 9.0 p90 -166.1 121.86 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -101.18 158.73 15.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . 0.438 ' HB ' ' CG1' ' A' ' 43' ' ' VAL . 32.2 m -127.25 168.08 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.403 ' NZ ' ' O ' ' A' ' 45' ' ' VAL . 22.4 pttm -145.39 148.76 33.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.04 -152.48 19.0 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.478 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.28 161.82 11.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.513 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -45.63 -26.23 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.916 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -62.21 -40.27 95.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' LYS . 6.8 mt-30 -106.49 28.0 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 40' ' ' LYS . 2.1 mptt 36.43 42.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 17.7 ptm -138.08 152.75 72.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.538 0.685 . . . . 0.0 110.885 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.653 ' HG2' HD11 ' A' ' 44' ' ' ILE . 53.2 Cg_endo -69.81 154.32 67.68 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.744 2.296 . . . . 0.0 112.329 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.438 ' CG1' ' HB ' ' A' ' 33' ' ' VAL . 21.2 t -84.9 113.32 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.653 HD11 ' HG2' ' A' ' 42' ' ' PRO . 5.4 mp -125.95 144.05 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.403 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . 97.5 t -54.53 141.89 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.5 p -103.88 -53.81 2.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -141.66 153.86 44.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.456 HG21 ' HA ' ' A' ' 62' ' ' ASN . 61.7 t -139.75 106.9 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.45 147.91 76.27 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.608 0.718 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 171.54 14.31 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.34 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 54.94 33.69 57.06 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.8 p -118.98 153.73 52.87 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.572 0.701 . . . . 0.0 111.143 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 2.85 3.14 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -100.4 -19.02 16.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . 0.443 ' OD1' ' CG ' ' A' ' 60' ' ' ARG . 3.6 t70 -102.13 -63.15 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.4 mt -46.36 -31.44 2.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.6 p -58.96 162.15 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.45 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 24.2 t -123.47 121.57 26.79 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.738 . . . . 0.0 111.123 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.72 174.56 39.95 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.332 -0.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . 0.443 ' CG ' ' OD1' ' A' ' 55' ' ' ASP . 20.5 ttp180 -90.39 120.82 31.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.506 HD23 ' CB ' ' A' ' 31' ' ' PHE . 15.6 tp -69.19 127.14 32.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.529 ' CG ' ' N ' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -141.36 169.73 17.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.529 ' N ' ' CG ' ' A' ' 62' ' ' ASN . 27.9 mt-10 -58.56 152.8 17.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.53 -41.48 2.23 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -52.85 114.62 1.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.743 0.306 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -90.04 126.81 35.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.9 t -84.62 122.35 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.596 HG12 ' HG ' ' A' ' 69' ' ' LEU . 40.7 t -90.52 -52.07 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.596 ' HG ' HG12 ' A' ' 68' ' ' VAL . 9.8 mt -142.15 157.36 44.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.852 HD12 HG21 ' A' ' 75' ' ' ILE . 74.8 mt -127.73 123.58 61.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 59.93 27.1 16.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.89 -15.58 36.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.455 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 52.3 mtt85 -91.99 144.18 25.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -73.82 122.3 22.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.852 HG21 HD12 ' A' ' 70' ' ' ILE . 2.5 pp -104.54 -31.86 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.558 ' N ' HD12 ' A' ' 75' ' ' ILE . . . -48.07 -27.93 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -76.51 -31.39 57.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.412 ' HB3' ' CB ' ' A' ' 82' ' ' GLN . 9.9 m80 -80.28 147.87 30.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.7 p -75.88 161.69 28.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -40.19 -57.3 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -46.01 -48.41 16.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.412 ' CB ' ' HB3' ' A' ' 78' ' ' HIS . 0.6 OUTLIER -65.26 -55.02 20.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.5 t -50.08 -61.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.5 t -44.53 -59.54 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.1 mt -57.5 -35.38 70.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -57.2 -46.31 82.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.1 mt -58.78 -59.16 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 89' ' ' ALA . 54.2 mttm -51.54 -52.79 44.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 88' ' ' LYS . . . . . . . . 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.061 179.867 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.232 0.17 0 CA-C-O 120.88 0.371 . . . . 0.0 110.927 . . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.75 111.64 20.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.682 ' HG3' HD11 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -111.77 140.61 46.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.866 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.43 ' HG ' ' C ' ' A' ' 99' ' ' MET . 4.8 mt -147.52 115.63 6.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.5 tp -90.49 104.97 17.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.0 m -107.53 149.76 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -91.36 134.9 28.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo . . . . . 0 C--N 1.342 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.389 179.957 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.625 HD21 ' HG3' ' A' ' 103' ' ' ARG . 15.9 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.933 0.397 . . . . 0.0 110.891 . . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.6 p -83.29 156.24 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.0 tp -125.1 123.55 39.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.9 mm -91.79 103.65 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -105.14 119.59 39.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.1 ptp -143.78 176.53 9.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -129.03 145.68 57.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 155.69 65.47 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.262 . . . . 0.0 112.367 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 28' ' ' ARG . 0.4 OUTLIER -87.42 179.68 6.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -43.94 -61.83 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -66.43 -26.28 67.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.89 1.19 55.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . 0.448 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 9.5 ptm180 -82.87 140.47 32.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -97.85 170.91 8.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.596 ' O ' HG13 ' A' ' 48' ' ' VAL . . . -116.38 64.19 0.34 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.477 ' CZ ' HD13 ' A' ' 87' ' ' ILE . 4.1 p90 -166.11 134.69 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.357 . . . . 0.0 110.839 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -111.64 159.19 18.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.68 161.77 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.7 pttt -141.04 141.12 34.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.73 174.01 17.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 162.69 -170.48 38.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 2.7 t80 -73.87 -20.35 60.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.902 0.382 . . . . 0.0 110.923 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . 0.417 ' C ' ' OD1' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -74.3 -33.44 63.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 40' ' ' LYS . 22.9 mm-40 -108.15 16.99 22.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' GLN . 9.1 mptt 35.22 50.36 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.9 ptm -138.86 152.66 70.85 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.552 0.691 . . . . 0.0 110.885 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.568 ' O ' HD12 ' A' ' 44' ' ' ILE . 52.8 Cg_endo -69.81 149.77 66.99 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.65 2.234 . . . . 0.0 112.286 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.513 ' C ' HD12 ' A' ' 44' ' ' ILE . 40.8 t -84.33 116.71 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.568 HD12 ' O ' ' A' ' 42' ' ' PRO . 4.0 mp -128.5 146.81 33.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.534 HG21 ' HG ' ' A' ' 61' ' ' LEU . 77.2 t -59.52 129.17 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 t -90.98 -60.94 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -140.41 152.26 45.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 30' ' ' GLY . 20.9 t -138.68 113.86 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.67 150.06 72.23 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 111.097 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 174.59 9.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.712 2.275 . . . . 0.0 112.364 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 49.26 46.14 35.02 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.486 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.47 HG21 ' HA3' ' A' ' 30' ' ' GLY . 18.7 p -130.77 154.59 81.88 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.565 0.698 . . . . 0.0 111.168 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.51 3.44 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.722 2.281 . . . . 0.0 112.36 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . 0.454 ' HA ' ' HG ' ' A' ' 57' ' ' CYS . . . -109.99 -8.25 14.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -112.28 -22.95 10.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.4 mt -89.31 -35.89 15.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . 0.454 ' HG ' ' HA ' ' A' ' 54' ' ' ALA . 2.8 p -55.08 152.34 7.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.438 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 42.5 t -127.06 122.64 23.23 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.592 0.711 . . . . 0.0 111.169 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.438 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.74 148.07 85.93 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.363 -0.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.2 ptt-85 -83.38 169.04 16.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.534 ' HG ' HG21 ' A' ' 45' ' ' VAL . 13.9 tp -103.15 129.08 49.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.45 156.2 48.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.28 125.48 16.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 44' ' ' ILE . . . 121.34 -42.76 1.63 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.432 ' HB3' HG11 ' A' ' 102' ' ' VAL . 95.2 m-20 -51.49 99.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.714 0.292 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -73.1 125.66 28.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.1 t -78.86 111.24 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.507 HG12 ' HG ' ' A' ' 69' ' ' LEU . 93.7 t -89.1 -37.43 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.507 ' HG ' HG12 ' A' ' 68' ' ' VAL . 88.9 mt -149.4 137.77 20.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.448 HG22 ' ND2' ' A' ' 71' ' ' ASN . 15.7 mt -109.42 95.56 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.448 ' ND2' HG22 ' A' ' 70' ' ' ILE . 0.8 OUTLIER 73.18 40.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.03 -37.17 2.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -80.19 141.19 35.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . 0.477 ' HA ' HD23 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -85.93 141.61 29.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.8 pp -123.94 11.02 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.17 -12.94 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.064 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.3 mp0 -99.25 -23.34 15.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -71.5 146.81 48.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 80' ' ' HIS . 13.3 p -84.37 150.36 25.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' THR . 22.1 t60 -35.07 -63.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 0.3 OUTLIER -42.48 -64.18 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -49.18 -62.07 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.5 t -39.48 -50.46 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 80' ' ' HIS . 79.5 t -50.45 -50.31 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.41 -32.56 71.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -51.42 -39.33 57.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.477 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 14.3 mt -69.66 -46.0 76.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.45 -33.14 69.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.847 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 16.9 pt-20 . . . . . 0 C--O 1.231 0.128 0 CA-C-O 120.862 0.363 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.429 HD23 ' N ' ' A' ' 99' ' ' MET . 1.2 tt -119.59 146.09 45.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.429 ' N ' HD23 ' A' ' 98' ' ' LEU . 2.8 mtt -129.18 121.9 28.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.5 mt -108.18 116.35 31.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.5 tp -85.33 103.11 13.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.432 HG11 ' HB3' ' A' ' 65' ' ' ASP . 18.8 m -112.07 171.92 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.625 ' HG3' HD21 ' A' ' 16' ' ' LEU . 13.3 ttm180 -111.85 124.67 31.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.581 0.705 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo . . . . . 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.258 . . . . 0.0 112.307 -179.978 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 mm? . . . . . 0 C--O 1.231 0.08 0 CA-C-O 120.847 0.356 . . . . 0.0 110.893 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 87.2 t -98.85 121.67 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.6 tp -101.59 129.54 47.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.427 HD13 ' HG2' ' A' ' 59' ' ' PRO . 7.5 mm -100.29 123.63 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 20' ' ' ARG . 13.5 mtp-105 -126.15 131.06 52.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.39 176.27 12.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -122.16 151.72 59.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.561 0.695 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 147.09 61.88 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -72.18 -177.59 2.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -58.01 -35.66 71.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -93.95 24.85 3.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 45.3 56.64 6.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -149.67 149.93 31.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.84 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -104.28 -176.02 2.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.721 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -129.31 65.29 0.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 6.7 p90 -158.03 127.86 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -104.83 140.89 37.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.2 155.69 17.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.7 pttt -143.67 143.71 31.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . 0.439 ' HA2' ' CG ' ' A' ' 41' ' ' MET . . . 105.98 158.94 22.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.473 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.93 -174.52 40.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.487 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -60.16 -31.81 70.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.883 0.373 . . . . 0.0 110.943 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -55.75 -41.93 74.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' LYS . 11.3 mm-40 -109.92 27.34 9.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' GLN . 3.5 mtpm? 37.47 36.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.439 ' CG ' ' HA2' ' A' ' 35' ' ' GLY . 9.0 ptm -128.65 154.17 79.66 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.58 0.705 . . . . 0.0 110.899 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 157.2 61.05 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.364 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 35' ' ' GLY . 42.9 t -91.19 116.18 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.79 136.34 54.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.503 HG21 ' OD2' ' A' ' 65' ' ' ASP . 73.2 t -51.48 114.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 p -68.68 -62.39 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . 0.472 ' HD2' ' N ' ' A' ' 48' ' ' VAL . 3.5 tmm_? -146.09 148.4 32.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' ' 30' ' ' GLY . 74.2 t -123.62 119.98 58.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.78 143.55 71.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.528 0.68 . . . . 0.0 111.135 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 173.42 11.03 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 51.65 45.86 54.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.721 HG21 ' HA3' ' A' ' 30' ' ' GLY . 10.4 p -131.66 155.69 81.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.577 0.703 . . . . 0.0 111.127 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -6.58 18.98 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.654 2.236 . . . . 0.0 112.33 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.66 -19.47 21.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -99.62 -63.03 1.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mt -46.73 -20.53 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.9 p -68.37 167.89 13.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.497 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 1.4 p -132.72 128.9 21.07 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.64 0.733 . . . . 0.0 111.113 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 54.3 Cg_endo -69.71 135.47 33.9 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.705 -1.789 . . . . 0.0 112.338 -0.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -55.87 118.11 4.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . 0.517 HD11 ' OD2' ' A' ' 65' ' ' ASP . 7.9 tp -67.04 108.98 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 63' ' ' GLU . 8.1 p30 -111.0 127.4 55.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . 0.477 ' HA ' ' CG1' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -34.14 149.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.84 -12.45 57.75 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . 0.517 ' OD2' HD11 ' A' ' 61' ' ' LEU . 3.0 p-10 -77.21 126.83 31.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.783 0.325 . . . . 0.0 110.813 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -88.3 124.65 34.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.7 t -84.48 104.89 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.453 HG12 ' HG ' ' A' ' 69' ' ' LEU . 50.7 t -72.13 -47.88 52.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.453 ' HG ' HG12 ' A' ' 68' ' ' VAL . 19.0 mt -149.02 143.75 26.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.774 HG22 ' ND2' ' A' ' 71' ' ' ASN . 63.2 mt -98.06 104.51 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . 0.774 ' ND2' HG22 ' A' ' 70' ' ' ILE . 20.7 p30 47.14 38.94 7.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.5 44.95 10.16 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.453 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.6 mmp_? -137.39 121.91 18.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -67.15 113.31 5.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.442 HD12 ' C ' ' A' ' 75' ' ' ILE . 2.9 pp -131.24 13.23 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.01 75.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -93.81 27.95 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 82' ' ' GLN . 4.6 t-160 -108.66 148.76 29.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 83' ' ' VAL . 82.1 p -63.43 165.0 8.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.152 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -70.03 -56.65 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.834 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -42.44 -45.15 4.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.552 ' HB3' ' CE1' ' A' ' 78' ' ' HIS . 9.0 mm-40 -64.14 -65.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 79' ' ' THR . 55.4 t -36.55 -58.58 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 87.7 t -47.31 -43.24 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.1 mt -71.84 -35.94 70.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -48.19 -53.13 17.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.443 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 38.8 mt -53.88 -54.96 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -46.33 -56.88 5.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.823 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 . . . . . 0 C--O 1.232 0.169 0 CA-C-O 120.891 0.376 . . . . 0.0 110.902 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.676 HD11 HD21 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -122.08 129.9 52.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.541 ' N ' HD13 ' A' ' 98' ' ' LEU . 6.0 mtp -133.23 117.2 17.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.676 HD21 HD11 ' A' ' 98' ' ' LEU . 5.5 mt -117.72 128.27 54.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.6 tp -91.39 106.51 18.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 17.9 m -111.36 155.1 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -97.03 136.02 21.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.54 0.686 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.34 0.122 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 -179.993 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . 0.413 ' HB3' HD11 ' A' ' 101' ' ' LEU . 3.9 mm? . . . . . 0 C--O 1.231 0.129 0 CA-C-O 120.879 0.371 . . . . 0.0 110.9 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.59 HG23 ' HG3' ' A' ' 104' ' ' PRO . 85.1 t -102.29 148.32 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 tp -127.95 137.03 52.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.546 HD13 ' HG2' ' A' ' 59' ' ' PRO . 6.8 mm -102.48 115.52 44.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -114.87 131.39 56.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.13 149.98 9.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -87.82 155.34 53.07 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.551 0.691 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 157.89 58.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.65 2.234 . . . . 0.0 112.32 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -79.31 173.17 12.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -46.37 -46.45 18.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -82.25 -16.38 49.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.79 37.7 4.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.45 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -128.21 172.43 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.447 ' CE1' HG22 ' A' ' 87' ' ' ILE . 50.1 m-85 -120.08 176.74 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -117.01 64.69 0.35 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 31' ' ' PHE . 8.8 p90 -165.31 135.08 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -106.5 162.53 13.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.2 m -136.42 162.59 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -148.61 159.06 44.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.86 -168.59 24.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.502 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.45 164.28 9.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.51 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -47.29 -27.7 1.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.905 0.383 . . . . 0.0 110.918 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.33 -41.01 94.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -99.85 19.31 16.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp 42.93 30.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 10.9 ptm -127.24 151.5 74.66 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.562 0.696 . . . . 0.0 110.899 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.551 ' HG2' HD11 ' A' ' 44' ' ' ILE . 54.0 Cg_endo -69.74 162.28 42.65 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.483 ' C ' HD12 ' A' ' 44' ' ' ILE . 50.5 t -90.73 120.03 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.551 HD11 ' HG2' ' A' ' 42' ' ' PRO . 4.2 mp -137.98 142.13 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . 0.446 HG11 ' CG2' ' A' ' 48' ' ' VAL . 63.6 t -54.65 132.28 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.7 p -94.13 -59.42 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.5 tpt85 -135.84 148.07 48.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.446 ' CG2' HG11 ' A' ' 45' ' ' VAL . 58.4 t -138.2 110.41 6.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.3 148.08 66.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.597 0.713 . . . . 0.0 111.089 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.408 ' O ' HG23 ' A' ' 52' ' ' THR . 54.2 Cg_endo -69.72 -177.43 1.86 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.238 . . . . 0.0 112.385 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 44.17 46.7 8.19 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 50' ' ' PRO . 13.1 p -132.17 154.82 81.78 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.564 0.697 . . . . 0.0 111.153 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 2.2 3.79 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.706 2.271 . . . . 0.0 112.33 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -108.05 -24.96 11.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.075 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -93.41 -34.32 13.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.1 mt -81.67 -15.72 53.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.6 p -74.29 160.22 31.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.676 HG13 ' HA ' ' A' ' 59' ' ' PRO . 92.8 t -124.72 137.58 29.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.662 0.744 . . . . 0.0 111.113 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.676 ' HA ' HG13 ' A' ' 58' ' ' VAL . 53.1 Cg_endo -69.81 141.66 66.89 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.292 0.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -49.01 129.03 17.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.3 tp -89.08 100.55 13.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -108.15 163.35 13.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -54.04 145.49 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.4 ' C ' HG23 ' A' ' 44' ' ' ILE . . . 103.21 -27.72 18.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -56.95 89.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.348 . . . . 0.0 110.835 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -70.64 116.91 11.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.7 t -71.75 113.2 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.634 HG12 ' HG ' ' A' ' 69' ' ' LEU . 61.1 t -83.74 -55.56 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.634 ' HG ' HG12 ' A' ' 68' ' ' VAL . 65.7 mt -139.45 143.08 37.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.608 HG21 ' HB3' ' A' ' 86' ' ' PHE . 51.4 mt -111.68 123.97 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 51.73 36.71 18.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.05 37.57 95.16 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.44 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -135.43 156.89 48.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.815 0.34 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -72.64 127.43 32.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.835 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.771 HD12 ' N ' ' A' ' 76' ' ' ALA . 2.8 pp -121.4 -39.0 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.771 ' N ' HD12 ' A' ' 75' ' ' ILE . . . -51.81 -37.22 50.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -73.07 -19.87 61.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -89.25 166.07 14.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.799 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 27.1 p -84.63 173.59 10.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.445 ' O ' HG23 ' A' ' 84' ' ' VAL . 31.1 t60 -56.23 -49.89 72.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.66 -62.16 1.8 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.546 ' OE1' ' CE2' ' A' ' 86' ' ' PHE . 0.6 OUTLIER -42.24 -51.53 4.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.9 t -54.53 -46.64 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 80' ' ' HIS . 95.0 t -55.01 -26.26 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.9 mp -82.22 -44.19 16.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.608 ' HB3' HG21 ' A' ' 70' ' ' ILE . 2.9 m-85 -45.08 -29.9 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.447 HG22 ' CE1' ' A' ' 29' ' ' PHE . 10.2 mt -80.88 -54.23 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -54.27 -44.74 72.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.802 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER . . . . . 0 C--O 1.231 0.13 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 . . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.56 HD11 HD21 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -129.54 132.15 46.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.542 ' N ' HD13 ' A' ' 98' ' ' LEU . 8.5 mtt -134.38 126.31 29.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.56 HD21 HD11 ' A' ' 98' ' ' LEU . 7.8 mt -131.69 119.29 21.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 16' ' ' LEU . 20.8 tp -91.67 101.5 14.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 33.8 m -101.46 158.95 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.464 ' HB2' ' CG2' ' A' ' 68' ' ' VAL . 17.8 ttp180 -107.43 107.38 60.31 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.608 0.718 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.59 ' HG3' HG23 ' A' ' 17' ' ' VAL . 53.4 Cg_endo . . . . . 0 C--N 1.341 0.14 0 C-N-CA 122.677 2.252 . . . . 0.0 112.296 -179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mp . . . . . 0 C--O 1.23 0.078 0 CA-C-O 120.855 0.359 . . . . 0.0 110.885 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.584 HG13 HG23 ' A' ' 102' ' ' VAL . 3.0 p -81.61 149.62 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 tp -125.72 136.84 53.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.62 HD13 ' HG2' ' A' ' 59' ' ' PRO . 8.8 mm -101.37 144.03 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -144.86 132.28 20.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -162.28 175.11 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -125.55 152.44 71.83 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 144.82 55.09 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.638 2.225 . . . . 0.0 112.317 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -70.46 -176.55 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -68.03 -11.49 59.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -116.78 10.38 14.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.23 58.3 13.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.518 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -145.81 123.43 11.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -84.1 178.43 7.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.564 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -131.31 71.08 0.51 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.479 ' CZ ' HD13 ' A' ' 87' ' ' ILE . 14.9 p90 -166.24 128.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.928 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -100.2 156.81 17.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.4 m -131.06 152.91 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -133.67 149.12 51.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.47 177.68 45.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.496 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.77 -154.39 20.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.514 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.479 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 2.8 t80 -81.56 -45.82 15.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.915 0.388 . . . . 0.0 110.938 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.95 -25.46 66.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -95.34 0.41 53.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm 50.18 43.95 26.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.6 ptm -142.55 153.26 61.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.542 0.687 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.556 ' HG2' HD11 ' A' ' 44' ' ' ILE . 53.9 Cg_endo -69.8 155.31 66.13 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.626 2.218 . . . . 0.0 112.353 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . 0.489 ' C ' HD12 ' A' ' 44' ' ' ILE . 23.3 t -86.04 117.49 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.091 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.567 HD12 ' N ' ' A' ' 44' ' ' ILE . 4.0 mp -130.49 140.5 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.8 t -55.76 130.44 18.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.4 t -88.9 -58.81 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.3 tpt85 -144.8 151.38 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 30' ' ' GLY . 41.6 t -133.5 115.44 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.85 146.89 53.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.545 0.688 . . . . 0.0 111.115 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 164.05 35.98 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.727 2.285 . . . . 0.0 112.358 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.99 40.73 95.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.564 HG21 ' HA3' ' A' ' 30' ' ' GLY . 16.5 p -131.5 154.78 81.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.579 0.704 . . . . 0.0 111.111 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -0.86 7.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.79 -5.93 19.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -107.68 -53.65 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.9 mt -67.65 -22.64 65.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.8 p -60.45 170.69 1.28 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.512 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 57.4 t -140.73 133.94 14.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.594 0.711 . . . . 0.0 111.145 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.62 ' HG2' HD13 ' A' ' 19' ' ' ILE . 54.1 Cg_endo -69.74 139.66 55.86 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.623 -1.824 . . . . 0.0 112.365 -0.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -53.84 128.81 31.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 24.1 tp -81.38 86.5 6.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -82.03 168.1 18.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -68.07 134.89 51.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.74 -13.33 32.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.12 85.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.764 0.316 . . . . 0.0 110.864 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -59.38 113.42 2.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.6 t -73.93 105.08 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.728 HG12 ' HG ' ' A' ' 69' ' ' LEU . 87.1 t -76.6 -40.24 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.728 ' HG ' HG12 ' A' ' 68' ' ' VAL . 41.1 mt -153.36 134.79 14.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.508 HG23 HD23 ' A' ' 100' ' ' LEU . 75.4 mt -99.44 122.1 50.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 59.11 27.19 16.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 70.46 41.44 66.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -137.74 158.95 43.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -84.24 107.28 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.47 HD12 ' C ' ' A' ' 75' ' ' ILE . 2.8 pp -117.85 -4.96 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.83 -27.19 64.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.059 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 37' ' ' TYR . 24.3 tt0 -79.14 -28.62 42.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -67.77 149.7 49.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.0 p -78.33 164.12 25.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.142 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -42.29 -55.07 3.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -59.67 -46.88 87.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -55.85 -39.66 71.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 86' ' ' PHE . 23.1 t -66.51 -68.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 83' ' ' VAL . 27.4 t -37.15 -51.12 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.153 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.57 -37.87 89.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 83' ' ' VAL . 46.4 t80 -50.16 -41.52 49.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.479 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 40.9 mt -62.99 -58.6 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.71 -42.78 62.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.086 179.856 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 . . . . . 0 C--O 1.231 0.124 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.63 107.1 18.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 18.7 mtt -111.07 141.73 44.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.508 HD23 HG23 ' A' ' 70' ' ' ILE . 8.7 mt -141.46 116.51 9.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.8 tp -80.57 99.75 8.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.584 HG23 HG13 ' A' ' 17' ' ' VAL . 3.9 m -109.0 172.25 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . 0.466 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 17.1 ttt-85 -102.02 139.32 20.2 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . 0.466 ' HD2' ' CG ' ' A' ' 103' ' ' ARG . 53.7 Cg_endo . . . . . 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 -179.972 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? . . . . . 0 C--O 1.231 0.098 0 CA-C-O 120.837 0.351 . . . . 0.0 110.901 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . 0.438 ' CG1' HG23 ' A' ' 102' ' ' VAL . 1.9 p -97.09 145.84 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . 0.476 HD11 ' CG ' ' A' ' 99' ' ' MET . 6.2 tp -112.63 135.97 52.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.538 HD13 ' HG2' ' A' ' 59' ' ' PRO . 17.3 mm -106.58 130.13 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 20' ' ' ARG . 5.7 mmm180 -122.8 128.62 50.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.3 ptp -172.3 148.29 2.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -106.76 143.94 28.06 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.561 0.696 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 159.87 51.82 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.733 2.288 . . . . 0.0 112.359 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -72.31 -176.14 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -60.08 -42.82 95.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -93.89 22.25 5.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.28 52.84 44.71 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.55 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -121.76 132.71 54.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . 0.845 ' CZ ' HD13 ' A' ' 98' ' ' LEU . 68.6 m-85 -104.26 175.59 5.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -129.97 67.75 0.56 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -159.53 135.26 8.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -98.68 153.44 18.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 m -128.66 171.04 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . 0.408 ' CG ' ' O ' ' A' ' 44' ' ' ILE . 1.5 ptmm? -151.98 122.1 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.81 -165.5 20.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.88 158.55 7.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.459 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -42.43 -31.79 0.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.877 0.37 . . . . 0.0 110.885 -179.779 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -49.96 -43.22 50.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 41' ' ' MET . 17.5 mm100 -110.23 34.05 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 39' ' ' GLN . 30.3 mmtp 35.0 32.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 39' ' ' GLN . 25.8 ptm -122.62 152.62 62.11 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.538 0.685 . . . . 0.0 110.892 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . 0.864 ' HG2' HD11 ' A' ' 44' ' ' ILE . 53.7 Cg_endo -69.79 169.94 17.79 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.247 . . . . 0.0 112.342 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 83.9 t -91.56 102.3 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . 0.864 HD11 ' HG2' ' A' ' 42' ' ' PRO . 2.8 mp -107.97 143.29 18.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.5 t -68.03 131.91 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.6 p -93.73 -56.16 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -141.95 160.13 40.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.9 t -134.81 119.08 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.26 150.41 74.08 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.572 0.701 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . 0.404 ' O ' HG23 ' A' ' 52' ' ' THR . 53.8 Cg_endo -69.75 169.65 18.4 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 48.36 42.35 25.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 50' ' ' PRO . 23.8 p -119.86 153.2 54.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.534 0.683 . . . . 0.0 111.163 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 2.13 3.82 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -110.57 -13.94 14.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -100.87 -43.97 5.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 mt -74.68 -24.65 58.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.4 p -66.03 161.27 21.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.519 HG13 ' HA ' ' A' ' 59' ' ' PRO . 67.2 t -128.42 134.37 26.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.672 0.749 . . . . 0.0 111.166 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.538 ' HG2' HD13 ' A' ' 19' ' ' ILE . 54.2 Cg_endo -69.74 143.03 72.68 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.325 -0.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -55.92 129.71 40.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.7 tp -80.91 100.95 9.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -94.85 167.07 11.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -62.93 157.77 20.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . 0.457 ' O ' HG23 ' A' ' 44' ' ' ILE . . . 84.41 -22.74 8.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.64 87.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 110.837 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' GLY . 38.6 tt0 -67.23 115.74 7.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.4 t -76.3 108.01 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.6 t -71.9 -34.85 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.6 mt -155.86 162.79 40.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.57 HG13 HD13 ' A' ' 75' ' ' ILE . 37.1 mt -130.89 114.08 26.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 57.74 34.56 24.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.43 37.86 95.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.496 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -136.46 135.67 38.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.768 0.318 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -58.11 119.74 7.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.57 HD13 HG13 ' A' ' 70' ' ' ILE . 5.1 pt -114.99 -28.68 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . 0.412 ' N ' HG13 ' A' ' 75' ' ' ILE . . . -47.7 -34.06 7.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -75.56 -26.33 57.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -76.86 155.95 32.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.607 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.5 p -92.74 172.13 8.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.583 ' O ' HG23 ' A' ' 84' ' ' VAL . 6.3 t60 -52.57 -54.64 30.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.46 -58.87 5.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 83' ' ' VAL . 30.2 mm-40 -49.76 -63.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 79' ' ' THR . 90.9 t -37.51 -58.69 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 80' ' ' HIS . 94.1 t -44.24 -43.25 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.34 -42.38 59.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -53.61 -38.47 64.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . 0.609 HG23 HD11 ' A' ' 98' ' ' LEU . 12.2 mt -68.19 -44.32 84.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 69.4 mttm -62.93 -31.92 73.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . . . . . . 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 179.898 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.4 pm0 . . . . . 0 C--O 1.232 0.154 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.845 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 5.7 tt -134.15 145.82 49.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . 0.489 ' N ' HD23 ' A' ' 98' ' ' LEU . 24.1 ttm -133.08 144.97 50.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.4 mt -135.09 152.48 51.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 21.1 tp -124.28 99.76 6.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . 0.438 HG23 ' CG1' ' A' ' 17' ' ' VAL . 11.1 m -109.48 171.98 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -104.56 136.25 19.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo . . . . . 0 C--N 1.341 0.171 0 C-N-CA 122.648 2.232 . . . . 0.0 112.361 -179.964 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 mt . . . . . 0 C--O 1.231 0.11 0 CA-C-O 120.836 0.351 . . . . 0.0 110.914 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.1 t -98.45 137.62 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.7 tp -114.36 132.92 56.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' ILE . . . . . 0.52 HD13 ' HG2' ' A' ' 59' ' ' PRO . 7.9 mm -103.2 124.97 57.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -128.0 121.53 30.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.51 161.82 42.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.98 152.33 42.98 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 128.89 16.72 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.768 2.312 . . . . 0.0 112.328 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -44.39 167.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -48.81 -43.32 38.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -84.24 -23.62 30.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.03 53.66 0.95 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.476 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -143.8 128.13 17.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -84.68 -176.6 6.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' GLY . . . . . 0.529 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -132.08 63.57 0.62 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.47 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 4.3 p90 -161.41 129.74 4.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.377 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' ASN . . . . . 0.413 ' CB ' ' HB3' ' A' ' 46' ' ' SER . 11.0 m120 -98.9 168.84 9.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.9 m -140.89 158.14 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -149.74 134.75 17.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.41 -154.33 16.76 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.09 170.9 16.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -49.04 -29.07 4.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.943 0.401 . . . . 0.0 110.892 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -54.93 -33.46 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 41' ' ' MET . 10.3 mt-30 -123.28 30.71 6.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' LYS . . . . . 0.405 ' N ' ' HD3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER 38.92 29.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' GLN . 15.2 ptm -123.59 153.06 66.14 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.545 0.688 . . . . 0.0 110.904 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 150.64 68.51 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.655 2.236 . . . . 0.0 112.376 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.6 t -86.73 104.34 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.3 mp -115.8 147.68 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.6 t -51.21 131.74 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' SER . . . . . 0.413 ' HB3' ' CB ' ' A' ' 32' ' ' ASN . 35.3 t -86.66 -63.94 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -145.98 162.56 37.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 49' ' ' ALA . 46.2 t -137.71 155.4 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' ALA . . . . . 0.446 ' N ' HG12 ' A' ' 48' ' ' VAL . . . -134.7 148.32 66.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.6 0.714 . . . . 0.0 111.143 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.6 33.89 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.96 -5.63 61.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' THR . . . . . 0.529 HG21 ' HA3' ' A' ' 30' ' ' GLY . 37.5 p -95.29 152.31 39.28 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.578 0.704 . . . . 0.0 111.142 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 3.74 2.62 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.293 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -107.45 -24.36 11.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.06 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -94.37 -11.94 28.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 30.9 mt -105.05 -37.07 7.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 23.5 p -53.94 170.16 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' VAL . . . . . 0.516 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 59.4 t -140.91 133.66 14.41 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.665 0.745 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' PRO . . . . . 0.52 ' HG2' HD13 ' A' ' 19' ' ' ILE . 53.9 Cg_endo -69.74 133.68 26.52 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.339 -0.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -54.17 146.98 13.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.0 tp -100.49 102.4 13.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -110.35 168.89 9.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -51.48 146.9 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.27 -44.24 1.55 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -49.49 95.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.715 0.293 . . . . 0.0 110.82 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -73.8 127.54 33.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.8 t -77.16 107.78 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.097 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' VAL . . . . . 0.477 HG12 ' HG ' ' A' ' 69' ' ' LEU . 47.5 t -79.23 -44.32 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.477 ' HG ' HG12 ' A' ' 68' ' ' VAL . 34.6 mt -148.99 165.1 32.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' ILE . . . . . 0.69 HD12 HG21 ' A' ' 75' ' ' ILE . 31.0 mt -126.05 113.2 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 53.61 41.58 32.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.45 -36.25 2.79 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' ARG . . . . . 0.555 ' HD3' ' CE2' ' A' ' 86' ' ' PHE . 4.9 ptm180 -78.81 157.62 28.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -95.72 148.84 22.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' ILE . . . . . 0.69 HG21 HD12 ' A' ' 70' ' ' ILE . 2.8 pp -130.92 20.52 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.97 -29.91 64.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -70.82 -30.97 67.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' HIS . . . . . 0.6 ' CD2' ' CD ' ' A' ' 82' ' ' GLN . 12.0 m170 -79.19 173.04 12.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 80' ' ' HIS . 53.4 p -108.94 161.3 15.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' HIS . . . . . 0.559 ' C ' ' CD2' ' A' ' 80' ' ' HIS . 1.3 t60 -38.01 -49.14 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.83 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' ASP . . . . . 0.619 ' O ' HD23 ' A' ' 85' ' ' LEU . 1.6 m-20 -51.58 -59.96 3.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' GLN . . . . . 0.6 ' CD ' ' CD2' ' A' ' 78' ' ' HIS . 51.4 mt-30 -51.54 -65.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 82' ' ' GLN . 66.4 t -35.11 -61.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 96.6 t -49.28 -43.69 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 81' ' ' ASP . 4.3 mm? -64.67 -42.96 95.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PHE . . . . . 0.555 ' CE2' ' HD3' ' A' ' 73' ' ' ARG . 23.7 t80 -61.55 -55.23 33.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.4 mt -50.5 -55.41 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -31.9 70.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 86' ' ' PHE . . . . . . . . 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.838 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 5.8 mp0 . . . . . 0 C--O 1.231 0.126 0 CA-C-O 120.895 0.379 . . . . 0.0 110.87 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' LEU . . . . . 0.527 HD11 HD21 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -90.98 118.86 30.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.959 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 16.8 mtt -125.29 118.79 26.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' LEU . . . . . 0.527 HD21 HD11 ' A' ' 98' ' ' LEU . 20.6 mt -125.25 131.43 53.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.0 tp -101.27 105.22 16.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 31.1 m -107.48 152.09 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -90.56 126.12 57.27 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo . . . . . 0 C--N 1.341 0.165 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 179.977 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.309 0 N-CA-C 112.473 -0.251 . . . . 0.0 112.473 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.9 t -158.0 -177.27 6.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.86 0.362 . . . . 0.0 110.838 -179.756 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 7.2 m 61.38 46.26 7.83 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.076 -0.511 . . . . 0.0 110.871 -179.824 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.03 -116.87 1.31 Allowed Glycine 0 N--CA 1.452 -0.275 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.523 -179.993 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.4 t 63.08 45.36 5.26 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 120.848 0.356 . . . . 0.0 110.854 -179.769 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 70.7 m -151.68 130.15 12.16 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.865 -179.805 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -168.48 117.03 0.7 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.483 -179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.7 m-20 -162.0 138.73 8.14 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 110.887 -179.879 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 177.02 -173.9 46.65 Favored Glycine 0 N--CA 1.452 -0.297 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.504 -179.996 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -175.77 103.58 0.18 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.537 -179.945 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.535 HD13 ' H ' ' A' ' 11' ' ' ILE . 0.2 OUTLIER -61.83 147.17 89.94 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.649 0.738 . . . . 0.0 111.111 -179.953 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 147.11 62.13 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.679 2.252 . . . . 0.0 112.331 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 37.3 m80 -41.68 -49.39 4.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.872 179.931 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -43.01 160.09 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.864 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 15.3 m-20 -120.2 45.42 2.2 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.919 -179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.524 HD22 ' HB3' ' A' ' 103' ' ' ARG . 82.3 mt -82.1 159.81 23.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.948 179.933 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 46.4 t -82.6 130.5 35.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.115 179.843 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.9 tp -104.47 128.38 52.36 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.928 179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.416 HD13 ' HG2' ' A' ' 59' ' ' PRO . 4.7 mm -96.57 120.65 46.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.164 179.799 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 9.9 mtt85 -113.0 118.88 36.05 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.863 179.986 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 9.8 ptp -156.85 169.25 25.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.854 180.0 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -124.36 150.8 65.27 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.571 0.7 . . . . 0.0 110.899 179.952 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.78 154.15 67.98 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.625 2.217 . . . . 0.0 112.359 179.891 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -74.45 174.46 8.91 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.892 179.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 17.9 tp10 -45.1 -55.27 5.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.896 -179.903 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 4.6 m-20 -74.27 -28.77 61.36 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 -179.956 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 105.34 43.6 1.58 Allowed Glycine 0 N--CA 1.451 -0.35 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.488 179.991 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.447 ' CZ ' ' HB2' ' A' ' 28' ' ' ARG . 19.9 mtm105 -124.63 144.18 50.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.886 0.374 . . . . 0.0 110.864 -179.848 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.431 ' CE2' ' HG ' ' A' ' 98' ' ' LEU . 34.1 m-85 -105.44 178.14 4.65 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.862 -179.924 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.52 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -121.48 37.94 2.79 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.492 -179.959 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.416 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 26.0 p90 -139.03 126.87 22.15 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.915 0.388 . . . . 0.0 110.859 -179.895 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 65.1 t30 -103.7 151.86 22.5 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.895 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.432 ' HB ' ' CG1' ' A' ' 43' ' ' VAL . 32.7 m -127.16 172.52 14.11 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 179.945 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 35.8 pttt -153.44 148.99 27.29 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.916 179.9 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.44 -174.84 27.54 Favored Glycine 0 N--CA 1.452 -0.266 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.473 179.959 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.99 170.7 12.24 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.514 -179.934 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.5 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 0.3 OUTLIER -42.53 -36.62 1.4 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.917 0.389 . . . . 0.0 110.944 -179.786 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.556 ' HB2' HG22 ' A' ' 79' ' ' THR . 11.9 t0 -53.22 -43.09 67.0 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.908 179.877 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.48 ' O ' ' N ' ' A' ' 41' ' ' MET . 31.1 mm-40 -108.7 31.06 5.93 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.873 -179.902 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.464 ' C ' ' O ' ' A' ' 39' ' ' GLN . 0.4 OUTLIER 32.8 36.18 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.879 179.97 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.48 ' N ' ' O ' ' A' ' 39' ' ' GLN . 16.9 ptm -130.07 152.67 80.43 Favored Pre-proline 0 C--N 1.329 -0.312 0 CA-C-O 121.6 0.714 . . . . 0.0 110.836 179.885 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 154.02 68.25 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.708 2.272 . . . . 0.0 112.34 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.432 ' CG1' ' HB ' ' A' ' 33' ' ' VAL . 21.9 t -89.23 106.48 16.98 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.123 179.921 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.8 mp -119.97 140.68 43.22 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.344 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.095 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.5 t -50.54 143.19 2.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.121 179.867 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 68.1 p -107.24 -52.42 2.77 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.825 -179.822 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.785 ' NH1' ' HB2' ' A' ' 49' ' ' ALA . 2.9 tmm_? -145.7 144.11 30.18 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.861 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.708 HG23 ' OE2' ' A' ' 63' ' ' GLU . 96.8 t -131.12 117.04 35.57 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.117 -179.978 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.785 ' HB2' ' NH1' ' A' ' 47' ' ' ARG . . . -90.15 152.6 46.18 Favored Pre-proline 0 C--N 1.328 -0.334 0 CA-C-O 121.558 0.694 . . . . 0.0 111.114 179.887 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.759 ' O ' HG23 ' A' ' 52' ' ' THR . 53.3 Cg_endo -69.77 -169.47 0.33 Allowed 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.665 2.243 . . . . 0.0 112.326 -179.96 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 40.35 38.7 1.45 Allowed Glycine 0 N--CA 1.451 -0.344 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.498 -179.976 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.759 HG23 ' O ' ' A' ' 50' ' ' PRO . 42.1 p -128.3 153.08 78.9 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.626 0.727 . . . . 0.0 111.132 -179.863 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 2.83 3.17 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.691 2.261 . . . . 0.0 112.34 179.958 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -110.42 -10.06 14.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.086 179.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.5 t70 -109.82 -21.8 12.2 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.877 179.99 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.2 mt -93.97 -27.68 16.21 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.879 -179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 18.8 p -67.92 165.92 16.73 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.861 179.978 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.659 HG13 ' HA ' ' A' ' 59' ' ' PRO . 84.1 t -134.77 137.39 27.32 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.594 0.712 . . . . 0.0 111.151 -179.986 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.659 ' HA ' HG13 ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.81 135.68 35.14 Favored 'Cis proline' 0 C--O 1.232 0.176 0 C-N-CA 122.675 -1.802 . . . . 0.0 112.386 0.013 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.4 ttp180 -55.83 140.22 43.06 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.846 -179.946 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.1 tp -89.66 93.05 9.32 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.942 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 67.0 m-20 -88.57 168.23 12.74 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.874 179.94 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.708 ' OE2' HG23 ' A' ' 48' ' ' VAL . 79.0 mm-40 -63.3 138.48 58.55 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.9 -179.976 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 108.72 -32.7 6.71 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.484 -179.947 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -52.92 101.34 0.04 OUTLIER 'General case' 0 C--N 1.328 -0.337 0 CA-C-O 120.747 0.308 . . . . 0.0 110.851 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 43.1 tt0 -79.65 122.1 26.12 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.967 -179.955 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 50.1 t -78.58 115.32 20.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.102 -179.968 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.555 HG12 ' HG ' ' A' ' 69' ' ' LEU . 60.8 t -87.75 -35.45 8.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.118 179.918 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.555 ' HG ' HG12 ' A' ' 68' ' ' VAL . 56.2 mt -155.87 170.15 22.76 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.939 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.923 HD12 HG21 ' A' ' 75' ' ' ILE . 68.8 mt -135.53 133.13 52.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.122 179.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.582 ' ND2' HG22 ' A' ' 70' ' ' ILE . 21.9 p30 38.35 30.25 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.879 179.903 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . 0.428 ' N ' ' O ' ' A' ' 70' ' ' ILE . . . 77.3 42.41 18.8 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.511 179.993 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.435 ' N ' ' O ' ' A' ' 70' ' ' ILE . 23.5 mmt180 -135.51 143.04 45.57 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.794 0.331 . . . . 0.0 110.914 -179.907 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -81.09 88.95 5.95 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.808 -179.998 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.923 HG21 HD12 ' A' ' 70' ' ' ILE . 2.5 pp -87.22 26.43 0.16 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.133 179.963 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -86.03 -39.01 17.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.091 179.831 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.3 pm0 -87.51 26.23 1.3 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.9 -179.969 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 51.4 m80 -124.93 125.84 44.56 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.818 -179.966 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.556 HG22 ' HB2' ' A' ' 38' ' ' ASP . 37.4 p -67.44 155.85 38.01 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.111 -179.886 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.432 ' C ' ' O ' ' A' ' 79' ' ' THR . 55.5 t60 -35.66 -61.47 0.46 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.837 179.936 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.3 t70 -44.8 -48.27 10.94 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.9 179.972 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 53.7 mt-30 -64.02 -58.11 7.68 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.926 -179.957 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 71.4 t -47.44 -57.11 1.3 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.129 179.961 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 77.3 t -47.35 -43.25 8.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.115 179.926 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 13.5 mt -69.54 -44.51 70.8 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.928 179.964 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.1 t80 -45.24 -61.13 1.78 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.885 179.922 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.583 HG23 HD21 ' A' ' 98' ' ' LEU . 19.0 mt -46.89 -50.08 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.107 -179.979 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.411 ' O ' ' C ' ' A' ' 89' ' ' ALA . 22.9 mttm -54.62 -49.54 70.23 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.851 179.843 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 90' ' ' SER . . . -35.59 -53.58 0.69 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.087 179.879 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 89' ' ' ALA . 5.9 t -35.11 -47.12 0.36 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.845 -179.797 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.423 ' O ' ' C ' ' A' ' 92' ' ' GLU . 89.7 m -42.74 -52.84 4.81 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.936 -179.953 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.423 ' C ' ' O ' ' A' ' 91' ' ' CYS . 17.6 mt-10 -36.6 -60.6 0.58 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.893 -179.892 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 41.8 ptt85 -84.01 131.0 34.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.858 -179.915 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 7.9 t-80 -77.93 -56.65 4.32 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.888 -179.998 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 65.5 m -52.24 98.74 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.841 -179.807 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 137.78 156.34 7.16 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.68 -0.771 . . . . 0.0 112.474 179.989 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -122.31 172.22 8.47 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.855 0.359 . . . . 0.0 110.895 -179.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.583 HD21 HG23 ' A' ' 87' ' ' ILE . 0.7 OUTLIER -91.43 104.49 17.0 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.961 -179.999 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 10.7 mtt -109.72 132.79 53.82 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.86 179.882 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.484 HD21 HD11 ' A' ' 98' ' ' LEU . 7.9 mt -128.72 114.66 16.89 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.896 -179.962 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.4 tp -84.11 101.61 11.94 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.91 179.887 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 13.6 m -110.28 144.66 17.95 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.13 179.83 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.524 ' HB3' HD22 ' A' ' 16' ' ' LEU . 11.3 ptm180 -94.25 136.69 23.25 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.648 0.737 . . . . 0.0 110.813 -179.941 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.72 160.34 50.06 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.66 2.24 . . . . 0.0 112.349 179.974 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 63.5 t30 -117.69 84.23 2.13 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.903 -179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -79.4 120.8 24.33 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.105 179.874 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 13.7 p -168.82 137.05 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.949 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.7 m-85 -67.21 137.33 56.12 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.953 -179.932 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 48.0 m-20 -127.01 104.85 8.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.876 179.906 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 99.4 t -125.56 130.78 72.64 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.142 -179.994 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 12.1 p -136.31 142.97 37.01 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.099 179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.2 tp10 -157.18 141.45 16.41 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.889 -179.975 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 52.7 tt0 -168.32 107.6 0.5 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.836 -179.933 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 1.5 t -120.41 155.15 34.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.901 -179.835 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -127.46 146.72 16.7 Favored Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.506 -179.988 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 -176.81 1.61 Allowed 'Trans proline' 0 C--O 1.231 0.175 0 C-N-CA 122.685 2.257 . . . . 0.0 112.343 -179.93 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 32.0 t -108.09 119.33 39.16 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.86 -179.827 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.2 t -42.73 -57.62 2.67 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.104 -0.498 . . . . 0.0 110.832 -179.794 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.48 -179.968 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.3 m -80.72 -52.99 6.92 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.9 0.381 . . . . 0.0 110.898 -179.76 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 32.2 m -106.49 117.88 35.2 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.084 -0.507 . . . . 0.0 110.852 -179.849 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 164.86 105.87 0.19 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.506 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.2 t -90.43 146.28 24.27 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.886 0.374 . . . . 0.0 110.844 -179.726 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 39.7 m -115.59 177.05 4.81 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.114 -0.494 . . . . 0.0 110.855 -179.813 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -159.69 -138.93 2.56 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.474 179.986 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.9 m120 -157.35 165.82 34.74 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.938 0.399 . . . . 0.0 110.839 -179.88 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -80.26 157.81 41.18 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.769 -0.729 . . . . 0.0 112.477 179.974 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 59.3 176.44 0.93 Allowed Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.499 -179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 25.4 pt -49.06 145.44 6.7 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.685 0.755 . . . . 0.0 111.156 -179.987 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.69 -49.34 0.58 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.703 2.269 . . . . 0.0 112.342 179.91 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.5 t-160 46.71 29.89 1.05 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.928 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -64.54 178.6 0.72 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.885 179.996 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.0 t-20 -127.98 -53.31 1.31 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.857 -179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.6 mm? -63.62 155.24 30.34 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.912 179.977 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.493 HG13 ' HG3' ' A' ' 59' ' ' PRO . 96.8 t -102.75 129.97 53.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.13 179.794 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 16.1 tp -101.02 137.61 39.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.869 179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.418 HD13 ' HG2' ' A' ' 59' ' ' PRO . 14.4 mm -111.12 120.43 61.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.112 179.815 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.2 mtm180 -115.07 127.93 55.93 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.896 179.915 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 19.7 ptp -158.38 157.0 31.48 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.907 179.959 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.402 ' HD3' ' C ' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -120.91 148.52 48.82 Favored Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.598 0.713 . . . . 0.0 110.866 -179.993 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.82 139.9 41.15 Favored 'Trans proline' 0 C--N 1.342 0.198 0 C-N-CA 122.694 2.263 . . . . 0.0 112.326 179.93 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -70.03 -176.35 1.11 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.877 179.921 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.6 pt-20 -56.45 -41.35 76.33 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.872 -179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 19.9 m120 -74.35 -16.19 60.92 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.874 -179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 76.51 45.94 12.92 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.526 -179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 15.7 ptp180 -135.85 147.72 48.36 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.832 0.349 . . . . 0.0 110.869 -179.835 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.868 ' CE2' HD22 ' A' ' 98' ' ' LEU . 69.1 m-85 -100.85 169.81 8.74 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.858 -179.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -118.07 50.53 0.8 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.443 -179.966 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.529 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 11.3 p90 -150.25 124.47 9.47 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.869 -179.918 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 10.1 m-20 -99.63 151.4 21.23 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.857 -179.913 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 17.1 m -126.32 150.94 32.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.103 179.918 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.0 pttt -140.7 138.35 34.19 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.866 179.956 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.462 ' HA2' ' CG ' ' A' ' 41' ' ' MET . . . 116.96 165.75 13.95 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.768 -0.73 . . . . 0.0 112.453 179.901 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.55 -161.36 32.86 Favored Glycine 0 N--CA 1.452 -0.286 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.479 -179.897 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 3.3 t80 -79.24 -41.24 28.67 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.839 0.352 . . . . 0.0 110.928 -179.796 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 13.2 t70 -63.95 -36.1 82.84 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.88 179.866 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.444 ' O ' ' C ' ' A' ' 40' ' ' LYS . 14.7 mm100 -92.21 11.65 24.95 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.923 -179.888 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.444 ' C ' ' O ' ' A' ' 39' ' ' GLN . 0.5 OUTLIER 34.86 53.4 0.64 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.888 -179.995 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.462 ' CG ' ' HA2' ' A' ' 35' ' ' GLY . 13.3 ptm -148.84 152.76 37.82 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.59 0.71 . . . . 0.0 110.868 179.864 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.82 153.69 68.35 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.673 2.249 . . . . 0.0 112.315 179.992 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.434 HG21 HD13 ' A' ' 75' ' ' ILE . 46.0 t -87.57 106.02 15.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.151 179.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.6 mp -121.96 141.88 40.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.143 179.932 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.581 HG11 ' CG2' ' A' ' 48' ' ' VAL . 66.7 t -50.66 102.97 0.03 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.129 179.813 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 15.6 t -55.4 -65.84 0.52 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.856 -179.86 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.6 tpt85 -142.99 152.73 42.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.847 -179.921 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.581 ' CG2' HG11 ' A' ' 45' ' ' VAL . 47.7 t -134.86 125.17 45.3 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.128 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -93.77 151.11 39.67 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.604 0.716 . . . . 0.0 111.115 179.884 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.445 ' O ' HG23 ' A' ' 52' ' ' THR . 53.4 Cg_endo -69.8 179.1 3.96 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.695 2.263 . . . . 0.0 112.31 -179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 44.99 46.41 9.49 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.501 179.978 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.445 HG23 ' O ' ' A' ' 50' ' ' PRO . 17.7 p -131.13 154.56 82.03 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.579 0.704 . . . . 0.0 111.161 -179.848 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.72 0.42 5.64 Favored 'Trans proline' 0 C--N 1.341 0.182 0 C-N-CA 122.734 2.29 . . . . 0.0 112.36 179.955 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.13 -16.04 14.9 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.095 179.908 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -102.09 -58.08 1.95 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.856 -179.98 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.2 mt -53.62 -16.36 1.56 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.897 -179.935 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 15.0 p -69.6 170.28 11.04 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.89 179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.506 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 5.3 p -141.29 131.66 13.12 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.561 0.696 . . . . 0.0 111.175 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.506 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.3 Cg_endo -69.82 134.24 28.84 Favored 'Cis proline' 0 C--O 1.231 0.162 0 C-N-CA 122.676 -1.802 . . . . 0.0 112.309 0.047 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 37.5 ttt180 -45.61 142.81 2.19 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 -179.996 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 23.0 tp -91.36 85.18 5.72 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.871 -179.964 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.5 t30 -89.64 146.66 24.39 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.925 179.887 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 50.0 mp0 -45.66 158.0 0.09 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.899 179.99 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.44 ' O ' ' N ' ' A' ' 66' ' ' GLN . . . 91.89 -38.43 3.2 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.499 -179.958 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 52.4 m-20 -55.19 85.99 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.764 0.316 . . . . 0.0 110.85 -179.973 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.44 ' N ' ' O ' ' A' ' 64' ' ' GLY . 39.7 tt0 -54.4 150.83 8.34 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.88 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.1 t -102.36 105.49 18.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.12 179.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.488 HG12 ' HG ' ' A' ' 69' ' ' LEU . 89.6 t -73.98 -50.24 29.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.14 179.909 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.488 ' HG ' HG12 ' A' ' 68' ' ' VAL . 68.5 mt -147.07 136.36 22.63 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.911 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.806 HD12 HG21 ' A' ' 75' ' ' ILE . 83.1 mt -106.13 126.09 61.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.84 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 28.9 m120 48.58 26.11 1.12 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.859 179.941 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 75.37 35.11 48.88 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.687 -0.768 . . . . 0.0 112.472 -179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 14.3 tpp180 -130.55 151.79 50.63 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.822 0.344 . . . . 0.0 110.846 -179.872 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.408 ' O ' ' CD2' ' A' ' 78' ' ' HIS . 25.9 p-10 -80.32 120.07 23.89 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.841 179.962 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.806 HG21 HD12 ' A' ' 70' ' ' ILE . 2.7 pp -119.55 7.56 6.58 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.143 179.993 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.14 -47.79 55.82 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.134 -0.484 . . . . 0.0 111.141 179.815 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 3.3 tp10 -71.68 -30.41 65.66 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.837 -179.925 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.408 ' CD2' ' O ' ' A' ' 74' ' ' ASP . 42.5 m-70 -68.97 140.13 55.04 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.82 -179.985 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.424 ' O ' ' C ' ' A' ' 80' ' ' HIS . 62.0 p -76.08 156.8 33.55 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.169 -179.926 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.432 ' CD2' ' C ' ' A' ' 80' ' ' HIS . 4.3 t60 -36.29 -62.42 0.45 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.279 -0.418 . . . . 0.0 110.879 179.92 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.7 m-20 -46.93 -55.89 7.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.866 179.975 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.465 ' HA ' ' NE2' ' A' ' 82' ' ' GLN . 8.3 mm-40 -50.36 -60.32 3.11 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.954 -179.941 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.441 HG22 ' HB ' ' A' ' 75' ' ' ILE . 90.0 t -45.7 -54.93 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.14 179.939 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 41.4 t -50.9 -38.77 18.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.132 179.886 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.3 mt -69.4 -50.53 45.15 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.949 179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.432 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 30.5 t80 -43.99 -57.2 3.47 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.88 179.945 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 72.0 mt -47.61 -49.84 9.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.12 179.933 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 47.3 mttm -55.98 -44.66 78.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.872 179.881 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.432 ' HB3' ' O ' ' A' ' 86' ' ' PHE . . . -40.27 -46.94 2.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.098 179.849 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.422 ' C ' ' O ' ' A' ' 89' ' ' ALA . 94.5 p -36.05 -44.63 0.39 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.851 -179.786 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 6.2 m -45.36 -48.43 13.36 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.914 -179.952 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -72.36 89.38 1.22 Allowed 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.89 -179.868 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 33.0 ptt180 -174.97 162.07 3.05 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.866 -179.951 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 97.3 m-70 -57.91 -58.5 8.11 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.877 179.997 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.6 t -167.2 161.14 14.31 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.855 -179.774 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.413 ' C ' ' OE1' ' A' ' 97' ' ' GLU . . . 155.4 -177.73 32.42 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.465 -179.989 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.413 ' OE1' ' C ' ' A' ' 96' ' ' GLY . 0.7 OUTLIER -126.97 169.09 13.68 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.834 0.349 . . . . 0.0 110.948 -179.963 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.868 HD22 ' CE2' ' A' ' 29' ' ' PHE . 10.3 tp -99.03 130.64 45.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.922 -179.955 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 27.0 mtp -129.49 126.27 38.29 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.87 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.0 mt -122.62 123.51 41.34 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.881 -179.971 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 27.0 tp -90.87 101.87 14.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.939 179.831 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 5.7 m -111.81 163.68 8.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.136 179.839 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 43.5 ttm-85 -104.92 137.03 19.1 Favored Pre-proline 0 C--N 1.328 -0.34 0 CA-C-O 121.612 0.72 . . . . 0.0 110.897 -179.991 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 146.81 61.37 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.67 2.247 . . . . 0.0 112.35 -179.989 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.4 p-10 -116.02 79.68 1.34 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.863 -179.993 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -67.54 113.73 5.61 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.169 -0.469 . . . . 0.0 111.086 179.852 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 60.3 t -135.7 135.39 51.14 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.11 179.999 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.469 ' CD1' ' C ' ' A' ' 108' ' ' TYR . 3.0 p90 -87.58 137.92 31.92 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.97 -179.953 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.7 OUTLIER -167.21 135.6 2.61 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 179.952 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 60.4 t -70.31 142.73 15.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.128 179.998 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.4 p -130.69 132.64 64.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.175 179.907 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 52.1 mt-10 -126.95 153.79 45.37 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.908 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 4.9 pt-20 -170.57 114.61 0.46 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.922 -179.929 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.5 t -146.93 123.07 10.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.862 -179.765 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -150.79 79.04 0.21 Allowed Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.5 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 -170.48 0.4 Allowed 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.686 2.258 . . . . 0.0 112.319 -179.94 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 12.9 m -152.78 151.72 30.8 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.847 -179.799 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 7.9 t 41.08 43.6 1.89 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.858 -179.83 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.507 179.965 . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.339 0 N-CA-C 112.482 -0.247 . . . . 0.0 112.482 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.6 t -157.54 153.48 27.03 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.881 0.372 . . . . 0.0 110.881 -179.751 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 46.0 t -60.24 159.24 10.15 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.881 -179.848 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 81.66 -164.78 45.39 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.979 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 20.9 m -82.09 87.82 6.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.877 0.37 . . . . 0.0 110.824 -179.727 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 15.3 t -154.02 145.18 22.86 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.862 -179.867 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -130.42 -152.58 7.46 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.533 179.985 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 33.5 m-20 -100.54 95.63 6.84 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-O 120.87 0.366 . . . . 0.0 110.937 -179.915 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -143.02 105.24 0.39 Allowed Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.453 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -146.7 68.84 0.38 Allowed Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.488 -179.944 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.57 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -44.12 147.97 0.87 Allowed Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.622 0.725 . . . . 0.0 111.115 -179.955 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 178.31 4.68 Favored 'Trans proline' 0 C--N 1.342 0.213 0 C-N-CA 122.688 2.259 . . . . 0.0 112.332 179.887 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.2 p80 -86.01 95.51 9.53 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.836 179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.6 p-10 -93.51 -39.51 10.83 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.871 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 34.2 m120 -64.64 -47.56 78.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.907 -179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -70.27 141.2 52.43 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.957 179.937 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 60.0 t -88.22 145.65 7.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.258 -0.428 . . . . 0.0 111.1 179.866 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.3 tp -121.92 141.02 51.71 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.174 -0.467 . . . . 0.0 110.94 179.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.415 HG13 HD13 ' A' ' 61' ' ' LEU . 21.5 mm -113.15 144.82 20.03 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.139 179.846 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 56.1 mtm180 -138.01 123.77 19.92 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.851 179.97 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.5 ptp -160.55 160.68 32.14 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -139.93 144.08 36.95 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.563 0.697 . . . . 0.0 110.927 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . 0.474 ' HD3' ' CZ ' ' A' ' 29' ' ' PHE . 54.2 Cg_endo -69.71 89.14 0.52 Allowed 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.691 2.261 . . . . 0.0 112.356 179.895 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.42 ' O ' ' C ' ' A' ' 25' ' ' GLU . 27.1 t70 -122.3 -71.21 0.74 Allowed 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.848 179.921 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.42 ' C ' ' O ' ' A' ' 24' ' ' ASP . 15.1 mp0 -35.53 -60.03 0.52 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.883 -179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 75.2 m-20 -124.38 19.14 8.93 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.877 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.44 23.66 35.58 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.476 179.988 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 17.4 ptp180 -155.44 154.34 31.74 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.818 0.342 . . . . 0.0 110.86 -179.874 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.474 ' CZ ' ' HD3' ' A' ' 23' ' ' PRO . 26.2 m-85 -89.23 132.9 34.66 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.868 -179.914 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.603 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -90.41 73.79 1.84 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.524 -179.954 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.506 ' HZ ' HD13 ' A' ' 87' ' ' ILE . 7.5 p90 -158.5 128.01 5.74 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.873 0.368 . . . . 0.0 110.863 -179.841 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.0 m120 -102.6 166.01 10.76 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.096 -0.502 . . . . 0.0 110.921 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.9 m -140.38 168.89 16.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.169 179.882 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 13.3 pttm -153.98 171.79 18.48 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.864 179.941 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 81.8 -154.59 34.22 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.474 179.932 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 130.23 169.0 12.41 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 -179.901 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 46.6 t80 -54.36 -21.33 9.22 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.924 0.392 . . . . 0.0 110.946 -179.788 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.1 t70 -65.28 -38.88 91.63 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.848 179.87 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 38.7 mm-40 -108.22 25.07 12.07 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.929 -179.909 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER 39.4 39.58 0.48 Allowed 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.848 179.911 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.6 ptm -131.18 151.96 79.79 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.559 0.695 . . . . 0.0 110.844 179.872 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.718 ' HG2' HD11 ' A' ' 44' ' ' ILE . 53.8 Cg_endo -69.77 155.93 64.64 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.683 2.255 . . . . 0.0 112.343 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 47.0 t -87.93 107.56 17.55 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.13 179.88 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.718 HD11 ' HG2' ' A' ' 42' ' ' PRO . 4.9 mp -117.65 141.45 36.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.118 179.88 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 78.1 t -51.91 128.27 10.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.103 -0.499 . . . . 0.0 111.175 179.829 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 27.3 t -82.64 -63.29 1.4 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.833 -179.826 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.1 ttp180 -143.38 163.79 32.08 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.859 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.44 HG13 ' O ' ' A' ' 30' ' ' GLY . 21.1 t -140.4 117.36 8.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.964 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.83 149.81 60.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.627 0.727 . . . . 0.0 111.085 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 175.4 8.15 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.69 2.26 . . . . 0.0 112.352 -179.959 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 47.12 49.03 19.34 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.485 179.969 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.603 HG21 ' HA3' ' A' ' 30' ' ' GLY . 12.2 p -131.86 155.02 81.9 Favored Pre-proline 0 C--N 1.33 -0.276 0 CA-C-O 121.613 0.721 . . . . 0.0 111.159 -179.885 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.73 2.72 3.26 Favored 'Trans proline' 0 C--N 1.342 0.22 0 C-N-CA 122.668 2.245 . . . . 0.0 112.33 179.956 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.55 -18.58 14.05 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.091 179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 9.6 t70 -97.14 -51.2 4.3 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.836 -179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.4 mt -64.06 -22.04 66.77 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.918 -179.917 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 3.7 p -64.72 161.95 16.87 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.886 179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.463 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 52.5 t -124.93 125.05 25.43 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.678 0.751 . . . . 0.0 111.092 -179.939 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.463 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.3 Cg_endo -69.8 179.43 22.41 Favored 'Cis proline' 0 C--N 1.342 0.192 0 C-N-CA 122.679 -1.8 . . . . 0.0 112.337 -0.028 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 20.1 ttt180 -89.44 121.83 32.06 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.822 -179.938 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.415 HD13 HG13 ' A' ' 19' ' ' ILE . 14.0 tp -69.58 94.61 0.78 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.909 -179.996 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 5.6 p30 -99.88 163.06 12.62 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.875 179.914 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -61.57 150.18 36.88 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.827 -179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 103.65 -39.58 2.75 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.513 -179.96 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 12.5 m-20 -51.98 105.07 0.1 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 120.745 0.307 . . . . 0.0 110.883 -179.958 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -72.61 117.6 14.49 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.906 -179.884 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 23.8 t -69.11 108.6 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.147 179.95 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.556 HG12 ' HG ' ' A' ' 69' ' ' LEU . 63.7 t -83.01 -54.74 8.63 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.107 179.936 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.556 ' HG ' HG12 ' A' ' 68' ' ' VAL . 85.2 mt -140.99 143.24 34.36 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.904 179.968 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.629 HG22 ' ND2' ' A' ' 71' ' ' ASN . 94.9 mt -111.48 113.39 44.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.098 179.872 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.629 ' ND2' HG22 ' A' ' 70' ' ' ILE . 55.1 m-20 58.86 45.58 15.12 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 179.912 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.21 33.09 57.62 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.808 -0.711 . . . . 0.0 112.426 179.963 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 70.7 mtt180 -127.91 143.78 51.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.807 0.337 . . . . 0.0 110.895 -179.896 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.3 p-10 -80.03 109.41 14.45 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.87 179.978 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.613 ' O ' HD12 ' A' ' 75' ' ' ILE . 2.6 pp -113.71 18.04 7.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.125 -179.984 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -74.75 -18.39 60.5 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.123 179.825 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.2 pt-20 -96.2 1.76 52.49 Favored 'General case' 0 C--N 1.33 -0.246 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.94 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 27.3 m170 -96.57 148.08 23.2 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.845 -179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.435 ' O ' ' C ' ' A' ' 80' ' ' HIS . 34.4 p -88.46 156.24 19.22 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.15 -179.903 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.495 ' C ' ' CD2' ' A' ' 80' ' ' HIS . 2.3 t60 -35.09 -55.45 0.6 Allowed 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.855 179.961 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 10.2 t70 -56.17 -59.57 4.74 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 30.7 mt-30 -49.83 -63.11 1.21 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.899 -179.891 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 51.9 t -40.35 -55.2 0.48 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.107 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.442 HG23 ' O ' ' A' ' 80' ' ' HIS . 41.4 t -47.42 -45.6 9.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.152 179.913 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 6.9 mp -71.58 -32.5 68.14 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.92 179.948 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 5.2 t80 -57.94 -42.61 85.27 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.899 179.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.572 HG23 ' CD1' ' A' ' 98' ' ' LEU . 47.0 mt -67.84 -37.48 78.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.08 -179.986 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 43.3 mtmt -57.32 -44.41 84.17 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.892 179.885 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.44 ' O ' ' C ' ' A' ' 90' ' ' SER . . . -38.9 -46.92 1.37 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.078 179.831 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.44 ' C ' ' O ' ' A' ' 89' ' ' ALA . 3.3 m -35.22 -44.38 0.26 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.77 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 21.5 t -43.77 -54.2 5.34 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 -179.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 36.6 tt0 -100.95 78.44 1.93 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.887 -179.886 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 1.4 tpt180 -158.69 132.95 7.88 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.85 -179.912 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 38.4 p-80 -38.84 -57.21 1.26 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.88 -179.99 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 1.8 t -46.42 -69.6 0.13 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.877 -179.797 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 95.66 -85.02 0.91 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.495 -179.999 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.8 tp10 -43.94 117.72 1.27 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.936 0.398 . . . . 0.0 110.872 -179.849 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.572 ' CD1' HG23 ' A' ' 87' ' ' ILE . 0.1 OUTLIER -92.53 153.87 18.8 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.916 -179.985 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.478 ' N ' ' HG ' ' A' ' 98' ' ' LEU . 6.2 mtt -136.91 141.61 42.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 179.8 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 1.4 mt -124.91 113.69 18.19 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.942 179.989 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.3 tp -84.64 101.12 11.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.927 179.899 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.3 m -105.42 169.06 2.49 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.109 179.877 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 17.1 ttt85 -107.95 136.19 19.77 Favored Pre-proline 0 C--N 1.329 -0.317 0 CA-C-O 121.604 0.716 . . . . 0.0 110.876 179.996 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 142.65 48.34 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.684 2.256 . . . . 0.0 112.335 -179.968 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 54.1 t30 -124.54 36.62 4.57 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.884 179.997 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -102.97 169.6 8.47 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.103 179.865 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 85.2 t -134.19 134.26 55.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.121 -179.957 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 33.6 m-85 -82.08 122.92 28.46 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.907 -179.91 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.423 ' O ' ' C ' ' A' ' 110' ' ' VAL . 2.5 p30 -147.34 149.31 32.55 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.079 -0.509 . . . . 0.0 110.845 179.934 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.423 ' C ' ' O ' ' A' ' 109' ' ' ASP . 2.5 p -34.58 149.76 0.01 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.137 179.98 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 84.4 t -115.86 85.06 0.81 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.146 179.935 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -111.39 116.65 31.3 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.851 -179.962 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.8 tt0 -165.46 108.49 0.82 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.883 -179.986 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 53.4 p -83.23 146.69 28.44 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.873 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -174.28 168.75 41.62 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.799 -0.715 . . . . 0.0 112.546 179.991 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.72 109.88 2.41 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.692 2.262 . . . . 0.0 112.382 -179.967 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 27.7 p -98.98 160.11 14.49 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.868 -179.821 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.4 p -120.55 101.74 7.96 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.864 -179.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 C-N-CA 120.787 -0.721 . . . . 0.0 112.556 -179.939 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.288 0 N-CA-C 112.449 -0.261 . . . . 0.0 112.449 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.5 m -112.98 141.99 46.19 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.896 0.379 . . . . 0.0 110.866 -179.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 80.4 p -150.21 175.01 12.16 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.867 -179.824 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -104.9 102.77 2.11 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.479 179.986 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 5.0 t -108.97 144.8 36.46 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.872 0.368 . . . . 0.0 110.866 -179.757 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 14.2 t -82.64 125.3 31.04 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.842 -179.792 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 49.24 -167.75 0.21 Allowed Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 -179.989 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 96.8 m-20 -77.57 139.98 39.63 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.917 0.389 . . . . 0.0 110.881 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 121.64 70.8 0.27 Allowed Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.748 -0.739 . . . . 0.0 112.471 179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -65.33 170.56 26.24 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.519 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.663 HG23 ' HD2' ' A' ' 12' ' ' PRO . 54.7 mt -83.39 138.53 41.68 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.582 0.706 . . . . 0.0 111.137 -179.948 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.663 ' HD2' HG23 ' A' ' 11' ' ' ILE . 53.8 Cg_endo -69.73 151.11 69.15 Favored 'Trans proline' 0 C--O 1.232 0.214 0 C-N-CA 122.666 2.244 . . . . 0.0 112.342 179.891 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.401 ' O ' ' C ' ' A' ' 14' ' ' ASP . 59.0 t-80 -81.88 91.08 6.49 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.862 179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.401 ' C ' ' O ' ' A' ' 13' ' ' HIS . 2.5 m-20 -38.16 106.59 0.05 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.847 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 25.6 m-80 -100.19 -46.27 5.35 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.895 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.407 ' CD2' ' HG3' ' A' ' 103' ' ' ARG . 29.9 mt -88.77 159.5 17.74 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.951 179.924 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 25.1 t -96.66 148.66 5.28 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.125 179.819 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.0 tp -124.23 142.09 51.53 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.923 179.967 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.414 HD13 ' HG2' ' A' ' 59' ' ' PRO . 7.8 mm -105.14 134.36 46.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.454 . . . . 0.0 111.112 179.848 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 75.7 mtm-85 -133.59 126.5 31.08 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.889 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -154.6 174.46 14.94 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.882 -179.995 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.421 ' C ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -125.33 148.93 62.69 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.573 0.701 . . . . 0.0 110.909 179.926 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 130.66 19.66 Favored 'Trans proline' 0 C--N 1.341 0.18 0 C-N-CA 122.67 2.247 . . . . 0.0 112.324 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 17.6 m-20 -52.45 -176.92 0.0 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.826 179.924 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 8.9 mp0 -54.84 -59.92 4.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.126 -0.488 . . . . 0.0 110.874 -179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 9.9 m120 -67.42 -18.28 65.04 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.873 -179.921 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 92.81 46.98 3.27 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.43 179.949 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -131.74 148.48 52.58 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-O 120.829 0.347 . . . . 0.0 110.908 -179.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 66.6 m-85 -100.56 -177.87 3.62 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.834 -179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.508 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -136.07 50.88 0.83 Allowed Glycine 0 N--CA 1.452 -0.284 0 C-N-CA 120.746 -0.74 . . . . 0.0 112.471 -179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.52 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 8.4 p90 -147.05 127.27 13.84 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.884 0.373 . . . . 0.0 110.886 -179.883 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 32.7 m-20 -99.15 161.11 13.8 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.899 -179.922 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 15.7 m -134.26 161.49 40.62 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.143 179.881 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 50.8 pttt -151.32 163.14 39.58 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.937 179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.526 ' O ' HG22 ' A' ' 43' ' ' VAL . . . 73.66 155.21 3.47 Favored Glycine 0 N--CA 1.451 -0.31 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.481 179.936 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -173.19 -156.46 13.03 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.48 -179.891 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 23.0 t80 -74.4 -37.68 63.32 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-O 120.868 0.366 . . . . 0.0 110.938 -179.825 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 14.2 t0 -63.11 -14.65 51.11 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.82 179.928 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 31.6 mm-40 -115.88 7.58 14.52 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.913 -179.854 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 37.5 mmtt 52.98 27.63 5.8 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.853 179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 17.5 ptm -129.16 152.58 79.63 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.545 0.688 . . . . 0.0 110.869 179.878 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.826 ' HG2' HD11 ' A' ' 44' ' ' ILE . 54.1 Cg_endo -69.71 156.97 62.09 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.67 2.247 . . . . 0.0 112.372 179.935 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.526 HG22 ' O ' ' A' ' 35' ' ' GLY . 54.9 t -86.91 106.3 15.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.137 179.884 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.826 HD11 ' HG2' ' A' ' 42' ' ' PRO . 4.1 mp -115.48 149.76 17.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.137 179.906 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 32.1 t -58.37 127.56 17.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.125 179.865 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 23.0 t -80.23 -62.24 1.74 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.906 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 24.5 tpt180 -144.88 155.41 43.44 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.839 -179.953 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 17.9 t -139.53 113.73 7.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.125 179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.47 151.0 71.4 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.622 0.725 . . . . 0.0 111.067 179.899 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.76 167.64 23.86 Favored 'Trans proline' 0 C--N 1.342 0.202 0 C-N-CA 122.656 2.238 . . . . 0.0 112.321 179.997 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 58.56 34.97 78.27 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.688 -0.768 . . . . 0.0 112.544 -179.984 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.508 HG21 ' HA3' ' A' ' 30' ' ' GLY . 18.9 p -116.94 154.61 49.68 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.589 0.709 . . . . 0.0 111.132 -179.826 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.81 -3.29 11.74 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.687 2.258 . . . . 0.0 112.356 179.931 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.4 -8.73 18.96 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.114 179.874 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 16.1 t70 -102.78 -50.94 3.41 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.882 179.968 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 10.3 mt -68.95 -10.9 59.77 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.92 -179.962 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.9 p -71.72 174.35 6.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.847 179.937 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.505 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 4.6 p -142.98 129.4 10.53 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.575 0.702 . . . . 0.0 111.135 -179.933 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.505 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.81 134.4 29.47 Favored 'Cis proline' 0 C--O 1.231 0.148 0 C-N-CA 122.674 -1.802 . . . . 0.0 112.313 -0.04 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 38.5 ttt180 -52.64 122.84 9.76 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.883 -179.932 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 19.0 tp -77.06 99.87 5.48 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 -179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 24.2 p30 -107.16 160.03 15.89 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.888 179.894 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 35.9 mt-10 -49.16 139.77 10.46 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.96 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.8 -33.66 6.16 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.514 -179.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -53.31 90.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-O 120.774 0.321 . . . . 0.0 110.855 -179.999 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 33.8 tt0 -69.42 119.35 13.54 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.878 -179.902 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.5 t -78.7 125.66 38.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.146 179.94 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.697 HG12 ' HG ' ' A' ' 69' ' ' LEU . 48.3 t -98.28 -56.05 5.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.14 179.912 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.697 ' HG ' HG12 ' A' ' 68' ' ' VAL . 17.7 mt -137.95 139.87 39.96 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.915 179.973 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.719 HD12 HG21 ' A' ' 75' ' ' ILE . 95.0 mt -104.65 117.12 49.72 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.82 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 56.74 26.84 11.86 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.839 179.908 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 80.06 38.36 19.24 Favored Glycine 0 N--CA 1.451 -0.363 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.474 179.941 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 13.0 tpp180 -130.62 148.61 52.43 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.786 0.327 . . . . 0.0 110.856 -179.846 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 6.7 p30 -83.16 86.0 7.1 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.884 179.977 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.719 HG21 HD12 ' A' ' 70' ' ' ILE . 2.7 pp -88.44 -17.69 8.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.111 -179.97 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -61.67 -27.95 69.05 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.126 179.814 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 18.1 mt-10 -82.08 -7.11 59.6 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.898 -179.917 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 24.3 m80 -101.58 149.41 24.14 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.849 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 81.2 p -64.9 162.82 15.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.114 -179.919 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.2 t60 -55.72 -58.3 8.39 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.852 179.915 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 t70 -41.37 -65.8 0.4 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.86 -179.993 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 3.5 tt0 -44.62 -56.02 4.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.958 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.412 ' O ' ' N ' ' A' ' 86' ' ' PHE . 20.0 t -44.74 -58.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.098 179.975 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 85.6 t -44.81 -44.81 2.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.139 179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.9 mp -71.51 -25.31 62.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.935 179.951 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.412 ' N ' ' O ' ' A' ' 83' ' ' VAL . 7.9 t80 -60.26 -57.55 12.31 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.878 179.959 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 22.9 mt -65.14 -35.83 76.33 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.109 179.972 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 31.8 mtmt -57.08 -42.49 80.8 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.895 179.875 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.426 ' O ' ' C ' ' A' ' 90' ' ' SER . . . -40.24 -44.21 1.84 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.109 179.803 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.426 ' C ' ' O ' ' A' ' 89' ' ' ALA . 77.5 p -35.65 -40.15 0.16 Allowed 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.845 -179.772 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 76.4 m -40.39 -50.52 2.85 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.905 -179.929 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.404 ' O ' ' N ' ' A' ' 94' ' ' HIS . 9.5 tt0 -69.87 -38.97 76.57 Favored 'General case' 0 C--N 1.33 -0.252 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.837 -179.867 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 20.1 ttm180 -56.09 88.03 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.876 -179.893 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.474 ' CE1' ' HG ' ' A' ' 95' ' ' SER . 2.8 p80 -40.6 -39.02 0.96 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.856 179.994 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.474 ' HG ' ' CE1' ' A' ' 94' ' ' HIS . 68.5 m -140.6 129.34 23.01 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.826 -179.77 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 159.84 88.04 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.519 -179.995 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 8.5 pt-20 -46.92 172.01 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.914 0.388 . . . . 0.0 110.893 -179.849 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 13.0 tp -113.74 107.74 16.17 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.966 -179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 24.4 mtp -108.75 99.2 8.59 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.869 179.883 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.523 HD23 HG23 ' A' ' 70' ' ' ILE . 2.1 mt -103.61 124.61 49.13 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.913 179.988 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.0 tp -90.43 100.68 13.47 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.885 179.918 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 6.0 m -103.47 156.44 5.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.123 179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.407 ' HG3' ' CD2' ' A' ' 16' ' ' LEU . 33.9 ttt180 -101.75 136.8 19.48 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.601 0.715 . . . . 0.0 110.83 -179.953 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.76 165.91 29.39 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.675 2.25 . . . . 0.0 112.355 179.97 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 5.9 m120 -125.17 44.32 2.83 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.905 179.991 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -85.46 20.6 2.0 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.076 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.446 ' O ' ' C ' ' A' ' 108' ' ' TYR . 32.8 m -55.56 159.75 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.257 -0.429 . . . . 0.0 111.115 179.977 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.446 ' C ' ' O ' ' A' ' 107' ' ' VAL . 8.1 t80 -34.62 132.86 0.29 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.922 -179.901 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -170.69 145.31 2.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.914 179.903 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 95.6 t -109.62 134.39 51.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.146 -179.985 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 95.9 t -147.75 137.81 16.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.114 179.912 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 49.4 tt0 -161.94 151.55 16.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.901 -179.957 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 29.0 tt0 -92.27 77.21 5.22 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.875 -179.934 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 3.1 m -98.26 116.89 31.42 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.836 -179.763 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 153.77 82.27 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.669 -0.777 . . . . 0.0 112.462 -179.987 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -29.08 24.52 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.723 2.282 . . . . 0.0 112.376 -179.943 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.7 m 38.73 43.87 0.75 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.835 -179.853 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 5.4 t -70.68 135.03 48.03 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.884 -179.832 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.348 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.452 -179.972 . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.346 0 N-CA-C 112.523 -0.231 . . . . 0.0 112.523 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 6.5 t -156.29 116.47 3.65 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.379 . . . . 0.0 110.843 -179.743 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.9 t -123.32 118.54 27.78 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.821 -179.805 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -141.55 -166.96 11.03 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.766 -0.731 . . . . 0.0 112.511 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 58.9 p -152.31 152.12 31.73 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.897 0.38 . . . . 0.0 110.837 -179.697 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 72.8 m -110.21 163.92 13.15 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.896 -179.839 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 149.77 144.9 4.03 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.518 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 29.5 m-80 -161.39 111.62 1.66 Allowed 'General case' 0 C--N 1.33 -0.28 0 CA-C-O 120.894 0.378 . . . . 0.0 110.853 -179.899 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -48.33 120.41 6.43 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.502 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -162.01 75.72 0.18 Allowed Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.531 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.9 pt -54.74 144.6 44.94 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.613 0.72 . . . . 0.0 111.141 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.78 169.39 19.05 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.691 2.261 . . . . 0.0 112.389 179.86 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 97.2 m-70 -86.97 -68.39 0.75 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.268 -0.424 . . . . 0.0 110.88 179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -66.4 169.13 7.83 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.871 179.994 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 20.2 m-20 -82.6 81.34 8.43 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.901 -179.912 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.35 155.44 38.15 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.903 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 84.1 t -93.84 120.81 43.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.143 179.829 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 21.1 tp -97.56 133.19 42.46 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.907 179.993 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.444 HD13 ' HG2' ' A' ' 59' ' ' PRO . 22.4 mm -104.59 104.52 16.99 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.103 179.861 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 61.5 mtm180 -99.49 117.17 33.31 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.85 179.972 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.4 ptp -147.14 174.68 11.36 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.884 179.962 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 8.8 pttp -128.01 150.83 74.74 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.558 0.694 . . . . 0.0 110.911 179.93 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 133.13 24.86 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.725 2.283 . . . . 0.0 112.36 179.937 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.8 t0 -49.84 179.37 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.287 -0.415 . . . . 0.0 110.879 179.933 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 18.9 tt0 -53.45 -57.0 12.2 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.899 -179.897 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 7.6 m-20 -70.23 -20.73 63.06 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.912 -179.971 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.67 43.82 1.9 Allowed Glycine 0 N--CA 1.451 -0.303 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.474 179.956 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 63.5 mtp180 -126.19 156.33 40.36 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.842 0.353 . . . . 0.0 110.845 -179.824 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 89.5 m-85 -113.07 179.13 4.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.845 -179.907 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -131.72 65.04 0.6 Allowed Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.729 -0.748 . . . . 0.0 112.485 -179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.475 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 8.0 p90 -165.23 128.41 2.25 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.823 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 63.2 m-20 -104.81 164.54 11.7 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.894 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 18.2 m -134.16 162.74 38.66 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.084 179.965 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 19.9 pttp -152.51 137.92 17.61 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.918 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 112.58 -171.93 14.31 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.791 -0.719 . . . . 0.0 112.498 179.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 135.76 174.81 13.53 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.808 -0.71 . . . . 0.0 112.544 -179.866 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 77.8 t80 -53.82 -33.31 55.74 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.875 0.369 . . . . 0.0 110.899 -179.778 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 44.6 t0 -54.02 -34.1 59.03 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.888 179.914 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.427 ' O ' ' C ' ' A' ' 40' ' ' LYS . 68.1 mt-30 -118.67 28.98 7.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.873 -179.899 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.457 ' N ' ' HD3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER 35.3 41.43 0.08 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.901 179.945 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 13.9 ptm -137.2 151.93 72.62 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.563 0.697 . . . . 0.0 110.915 179.886 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.741 ' O ' HD12 ' A' ' 44' ' ' ILE . 53.8 Cg_endo -69.79 142.37 47.62 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.677 2.251 . . . . 0.0 112.329 -179.975 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 39.2 t -79.99 108.16 13.16 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.184 179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.741 HD12 ' O ' ' A' ' 42' ' ' PRO . 5.0 mp -116.07 148.74 18.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.125 179.961 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 71.4 t -52.65 124.22 4.8 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.102 179.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 22.4 t -77.71 -66.11 0.88 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.85 -179.857 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.428 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 17.8 tpp85 -142.9 154.93 44.59 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.895 -179.931 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.428 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 88.3 t -136.5 113.7 13.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.099 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.53 149.31 78.12 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.599 0.714 . . . . 0.0 111.123 179.862 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.72 163.65 37.43 Favored 'Trans proline' 0 C--N 1.341 0.178 0 C-N-CA 122.679 2.253 . . . . 0.0 112.379 -179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 51.67 56.53 15.38 Favored Glycine 0 N--CA 1.451 -0.354 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.522 -179.985 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 2.0 p -134.55 157.0 78.29 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.6 0.714 . . . . 0.0 111.143 -179.819 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.76 -0.39 6.84 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.709 2.273 . . . . 0.0 112.291 179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.19 -14.13 15.48 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.264 -0.426 . . . . 0.0 111.11 179.917 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -102.49 -54.86 2.58 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.974 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 11.1 mt -58.88 -18.89 37.08 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.933 -179.973 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.4 p -66.0 147.81 52.78 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.864 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.455 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 97.2 t -115.0 124.88 29.65 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.62 0.724 . . . . 0.0 111.127 -179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.455 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.76 163.81 80.87 Favored 'Cis proline' 0 C--N 1.341 0.183 0 C-N-CA 122.737 -1.776 . . . . 0.0 112.358 -0.07 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.5 ttt180 -78.29 134.13 37.55 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.895 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.1 tp -90.12 99.76 12.71 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.897 -179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 4.6 p30 -108.11 160.15 16.03 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.865 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 2.2 mp0 -52.09 132.38 32.94 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.119 -0.491 . . . . 0.0 110.899 179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 122.64 -43.81 1.41 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.5 -179.943 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -48.33 102.65 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.764 0.316 . . . . 0.0 110.855 -179.969 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 12.2 tt0 -71.81 119.76 16.44 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.984 -179.982 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 21.9 t -77.86 116.43 21.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.111 179.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.77 HG12 ' HG ' ' A' ' 69' ' ' LEU . 59.7 t -95.52 -54.87 6.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.161 179.874 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.77 ' HG ' HG12 ' A' ' 68' ' ' VAL . 13.0 mt -140.25 140.57 35.8 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.948 179.994 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.578 HD12 HG21 ' A' ' 75' ' ' ILE . 60.9 mt -99.35 123.7 52.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.35 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.116 179.856 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 19.4 p30 43.38 34.71 0.78 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.904 179.951 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 77.28 44.76 12.57 Favored Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.794 -0.717 . . . . 0.0 112.445 179.945 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 0.6 OUTLIER -135.81 144.84 45.94 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-O 120.822 0.344 . . . . 0.0 110.872 -179.858 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.4 m-20 -82.89 110.91 18.3 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.915 179.934 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.717 ' O ' HD12 ' A' ' 75' ' ' ILE . 2.8 pp -126.53 32.41 1.63 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.335 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.149 -179.995 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -88.97 -41.81 12.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.074 179.85 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 37.2 mt-10 -73.36 -30.41 63.3 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.865 -179.896 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 91.2 m-70 -65.38 144.38 57.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.886 179.963 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.407 ' O ' ' C ' ' A' ' 80' ' ' HIS . 59.3 p -78.23 151.96 32.84 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.226 -0.443 . . . . 0.0 111.157 -179.92 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.421 ' O ' HG23 ' A' ' 84' ' ' VAL . 44.4 t60 -36.66 -59.85 0.64 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.835 179.933 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 52.1 m-20 -38.65 -61.59 0.7 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.826 -179.976 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.409 ' O ' ' C ' ' A' ' 83' ' ' VAL . 10.0 tm0? -49.01 -67.78 0.24 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.855 -179.857 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.422 ' O ' ' N ' ' A' ' 86' ' ' PHE . 58.1 t -37.18 -65.48 0.07 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.161 179.989 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.421 HG23 ' O ' ' A' ' 80' ' ' HIS . 69.2 t -35.96 -48.67 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.152 179.885 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 7.7 mp -70.27 -41.26 73.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.895 179.958 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.422 ' N ' ' O ' ' A' ' 83' ' ' VAL . 3.1 t80 -44.87 -58.97 2.78 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.209 -0.45 . . . . 0.0 110.877 179.952 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.7 mt -54.34 -51.21 50.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.121 -0.49 . . . . 0.0 111.111 -179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 21.1 mttm -48.39 -48.0 37.2 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.894 179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -45.98 -46.42 16.34 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.09 179.832 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 43.4 t -39.53 -54.71 1.94 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.869 -179.807 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 44.6 t -40.63 -44.7 2.18 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.861 -179.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.6 mt-10 -69.88 -58.67 3.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.892 -179.877 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 48.0 mtp180 -60.57 121.16 11.47 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.852 -179.905 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 15.2 m-70 -89.73 96.23 10.6 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.854 179.998 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 80.2 p -124.29 -55.69 1.65 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.815 -179.751 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -171.25 -126.42 0.88 Allowed Glycine 0 N--CA 1.451 -0.361 0 C-N-CA 120.762 -0.733 . . . . 0.0 112.532 179.991 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 7.5 mp0 -107.41 170.77 7.76 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.901 0.381 . . . . 0.0 110.919 -179.906 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.435 HD13 ' N ' ' A' ' 99' ' ' MET . 0.3 OUTLIER -85.23 118.88 25.05 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.934 -179.978 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.435 ' N ' HD13 ' A' ' 98' ' ' LEU . 2.9 mtp -120.17 138.45 53.6 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.868 179.828 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 7.4 mt -136.39 132.71 35.89 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.895 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.6 tp -98.88 99.62 10.71 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.939 179.845 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 25.4 m -105.45 150.97 7.78 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.11 179.861 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 5.3 mmm180 -89.97 133.63 33.4 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.565 0.697 . . . . 0.0 110.887 -179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.8 123.4 10.05 Favored 'Trans proline' 0 C--N 1.341 0.176 0 C-N-CA 122.662 2.241 . . . . 0.0 112.333 -179.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.407 ' CG ' ' O ' ' A' ' 105' ' ' ASN . 11.5 p-10 -103.58 75.99 1.37 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.969 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -41.04 99.23 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.152 -0.477 . . . . 0.0 111.068 179.9 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 27.9 m -83.09 138.28 19.58 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.179 179.918 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 4.7 t80 -75.0 173.89 10.08 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.922 -179.909 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 5.8 p-10 -122.61 78.45 1.53 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.859 179.92 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 6.4 p -114.63 126.77 72.26 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.207 -0.451 . . . . 0.0 111.119 179.988 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 91.9 t -80.13 92.32 1.79 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.174 -0.467 . . . . 0.0 111.119 179.944 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 8.4 tm-20 -154.22 125.75 7.52 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.859 -179.981 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 64.9 tt0 -158.13 107.13 2.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.881 -179.948 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 58.7 m -112.71 136.39 52.35 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.88 -179.837 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -133.86 78.58 0.35 Allowed Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.463 -179.98 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 167.44 24.43 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.705 2.27 . . . . 0.0 112.32 -179.952 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 68.4 m -132.84 -50.22 0.89 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.896 -179.879 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 11.7 t -45.81 141.78 2.84 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.109 -0.496 . . . . 0.0 110.829 -179.843 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.326 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.502 -179.996 . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.481 -0.247 . . . . 0.0 112.481 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.7 m -136.82 136.51 38.88 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-O 120.844 0.354 . . . . 0.0 110.89 -179.744 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 36.6 m -122.17 130.27 53.06 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.47 . . . . 0.0 110.896 -179.833 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 135.55 96.29 0.5 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.5 -179.948 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 41.5 m -135.44 175.16 9.84 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.857 0.36 . . . . 0.0 110.871 -179.73 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 41.3 p -143.38 155.41 44.41 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.842 -179.799 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 172.76 93.34 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.477 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 57.9 t30 -169.59 138.5 1.91 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-O 120.892 0.377 . . . . 0.0 110.868 -179.891 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 174.81 67.36 0.05 OUTLIER Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.488 179.933 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -155.69 172.1 33.73 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.49 -179.918 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.649 HG23 ' HD2' ' A' ' 12' ' ' PRO . 74.2 mt -124.07 138.64 31.05 Favored Pre-proline 0 C--N 1.328 -0.335 0 CA-C-O 121.595 0.712 . . . . 0.0 111.098 -179.956 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . 0.649 ' HD2' HG23 ' A' ' 11' ' ' ILE . 53.9 Cg_endo -69.79 163.14 39.42 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.697 2.265 . . . . 0.0 112.344 179.884 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 24.3 m-70 -120.73 -51.51 2.15 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.889 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -92.46 108.11 19.72 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.899 179.917 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 3.2 t30 -75.7 88.94 2.79 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.938 -179.959 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 40.8 mt -107.92 156.07 19.6 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.958 179.944 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.499 ' HB ' HG23 ' A' ' 102' ' ' VAL . 92.0 t -103.0 135.28 41.18 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.125 179.869 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.429 HD11 ' HB3' ' A' ' 99' ' ' MET . 12.9 tp -109.25 140.86 42.35 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.903 179.957 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 8.7 mm -114.77 107.18 22.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.133 179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 48.7 mtp180 -104.47 129.04 52.5 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.855 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -158.11 164.31 36.76 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.84 179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -113.72 152.58 45.64 Favored Pre-proline 0 C--N 1.328 -0.336 0 CA-C-O 121.587 0.708 . . . . 0.0 110.896 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 125.65 12.4 Favored 'Trans proline' 0 C--N 1.342 0.191 0 C-N-CA 122.68 2.253 . . . . 0.0 112.377 179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 20.4 t0 -54.34 177.61 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.844 179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 69.6 mm-40 -46.2 -48.63 17.62 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.863 -179.871 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 26.5 t30 -83.98 -25.58 29.9 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 123.28 -33.64 3.94 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.444 179.942 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 69.4 mtp180 -49.66 128.51 17.96 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.881 0.372 . . . . 0.0 110.86 -179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.444 ' CE1' HD13 ' A' ' 98' ' ' LEU . 37.3 m-85 -78.33 -58.13 3.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.885 -179.942 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.492 ' O ' HG13 ' A' ' 48' ' ' VAL . . . 122.01 46.54 0.3 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.737 -0.745 . . . . 0.0 112.475 -179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 22.2 p90 -163.32 143.6 8.96 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.917 0.389 . . . . 0.0 110.868 -179.874 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 60.2 m-20 -115.75 168.37 10.1 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.152 -0.477 . . . . 0.0 110.901 -179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.1 m -136.12 157.41 37.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.119 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 56.1 pttt -147.21 166.32 27.37 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.881 179.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 87.22 -142.15 17.98 Favored Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.688 -0.767 . . . . 0.0 112.52 179.971 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 112.0 161.75 16.26 Favored Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.523 -179.924 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 8.6 t80 -41.51 -34.42 0.56 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.885 0.374 . . . . 0.0 110.912 -179.775 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 11.7 t70 -55.18 -44.65 75.43 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.878 179.921 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 12.8 mt-30 -100.02 29.07 4.42 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.916 -179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 22.2 mmmt 39.21 32.04 0.07 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.868 179.95 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 19.7 ptm -132.81 150.93 77.06 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.598 0.713 . . . . 0.0 110.875 179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.75 158.42 57.03 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.698 2.265 . . . . 0.0 112.368 179.961 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 94.1 t -76.45 105.22 5.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.109 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.588 HG23 ' O ' ' A' ' 64' ' ' GLY . 14.1 mm -111.81 140.94 28.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.47 . . . . 0.0 111.101 179.9 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 86.9 t -53.33 124.56 5.94 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.109 179.853 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.3 t -77.94 -63.94 1.27 Allowed 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.881 -179.866 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.437 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 16.7 tpt180 -146.13 151.71 38.11 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.898 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 30' ' ' GLY . 57.6 t -137.68 107.8 5.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.126 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.7 143.46 71.6 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.639 0.733 . . . . 0.0 111.086 179.885 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 168.85 20.4 Favored 'Trans proline' 0 C--N 1.342 0.208 0 C-N-CA 122.69 2.26 . . . . 0.0 112.383 -179.993 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.54 30.05 76.58 Favored Glycine 0 N--CA 1.451 -0.334 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.476 179.96 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 12.4 p -122.26 154.2 61.99 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.607 0.717 . . . . 0.0 111.119 -179.828 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.79 1.03 4.82 Favored 'Trans proline' 0 C--N 1.342 0.199 0 C-N-CA 122.64 2.227 . . . . 0.0 112.352 179.97 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -99.96 -20.65 16.0 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.113 179.846 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.425 ' OD1' ' NE ' ' A' ' 60' ' ' ARG . 7.6 t70 -99.07 -61.62 1.34 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.912 179.987 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.9 mt -49.25 -18.76 0.39 Allowed 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.928 -179.992 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 9.1 p -64.81 166.57 8.78 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.939 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.479 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 2.1 p -135.92 125.2 15.97 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.634 0.731 . . . . 0.0 111.169 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.479 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 54.1 Cg_endo -69.78 133.69 26.66 Favored 'Cis proline' 0 C--N 1.342 0.19 0 C-N-CA 122.649 -1.813 . . . . 0.0 112.35 -0.026 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.425 ' NE ' ' OD1' ' A' ' 55' ' ' ASP . 36.7 ttt180 -54.76 133.23 47.2 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.939 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 13.5 tp -76.17 100.43 5.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.928 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 2.6 p30 -103.77 162.39 13.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.883 179.915 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 7.4 mp0 -57.7 141.27 49.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.876 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.588 ' O ' HG23 ' A' ' 44' ' ' ILE . . . 111.65 -42.12 2.05 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.495 -179.966 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 5.4 m-20 -38.31 114.2 0.35 Allowed 'General case' 0 C--N 1.328 -0.353 0 CA-C-O 120.804 0.335 . . . . 0.0 110.869 -179.956 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -87.73 105.22 17.23 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.926 -179.903 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 30.4 t -70.2 121.85 20.7 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.437 . . . . 0.0 111.081 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.521 HG12 ' HG ' ' A' ' 69' ' ' LEU . 57.6 t -99.64 -46.07 12.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.172 179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.521 ' HG ' HG12 ' A' ' 68' ' ' VAL . 76.1 mt -140.0 141.3 36.35 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.933 179.96 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.985 HD12 HG21 ' A' ' 75' ' ' ILE . 43.5 mt -105.95 102.66 14.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.117 179.824 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.4 m120 63.21 30.38 15.89 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.92 179.932 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 81.75 39.45 11.98 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.457 179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 24.7 mmt180 -135.2 140.68 45.5 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.792 0.33 . . . . 0.0 110.914 -179.92 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.424 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 65.6 m-20 -67.63 115.36 7.13 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.866 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.985 HG21 HD12 ' A' ' 70' ' ' ILE . 2.5 pp -124.21 -10.63 6.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.103 179.988 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.1 -7.89 57.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.07 179.824 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 5.5 mp0 -109.57 17.76 21.01 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.913 -179.99 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 13.6 m-70 -125.67 156.1 39.82 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.822 179.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 42.5 p -72.37 172.61 10.08 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.179 -179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 42.2 t60 -54.24 -52.73 60.43 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.868 179.937 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -47.92 -63.12 1.15 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.903 179.955 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 1.2 mp0 -42.27 -61.09 1.26 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.899 -179.912 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 95.1 t -44.76 -62.05 0.34 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.124 179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.468 ' CG1' ' HD2' ' A' ' 88' ' ' LYS . 37.3 t -43.81 -56.53 0.73 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.916 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.7 mp -57.31 -32.83 67.07 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.932 179.9 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.0 OUTLIER -58.96 -48.87 79.99 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.859 179.963 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 9.8 mt -77.5 -49.41 22.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.114 -0.493 . . . . 0.0 111.109 -179.975 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.468 ' HD2' ' CG1' ' A' ' 84' ' ' VAL . 29.9 mtpt -50.36 -51.3 47.04 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.939 179.838 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.416 ' C ' ' O ' ' A' ' 88' ' ' LYS . . . -36.64 -47.38 0.65 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.256 -0.429 . . . . 0.0 111.118 179.823 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 44.2 t -41.28 -46.45 3.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.853 -179.781 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 7.0 t -43.74 -52.6 6.46 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.089 -0.505 . . . . 0.0 110.898 -179.994 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -92.66 40.63 1.06 Allowed 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.877 -179.894 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 8.8 mtp180 -160.61 112.15 1.9 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.855 -179.953 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 16.6 t-80 -67.95 107.12 2.55 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.835 -179.995 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 14.2 t -111.01 -57.75 2.2 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.883 -179.794 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 129.63 -60.3 0.68 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.438 179.979 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 35.1 mt-10 -143.13 145.3 32.71 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.883 0.373 . . . . 0.0 110.893 -179.855 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.863 HD21 HD21 ' A' ' 100' ' ' LEU . 0.8 OUTLIER -118.48 142.38 47.64 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.953 -179.988 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.429 ' HB3' HD11 ' A' ' 18' ' ' LEU . 3.7 mtt -129.39 141.35 51.08 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 179.879 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.863 HD21 HD21 ' A' ' 98' ' ' LEU . 8.6 mt -125.75 122.97 37.78 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.924 -179.998 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 11.8 tp -90.0 102.98 15.68 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.896 179.907 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.499 HG23 ' HB ' ' A' ' 17' ' ' VAL . 14.1 m -106.86 155.19 7.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.147 179.836 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.0 tmm_? -97.8 135.91 21.37 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.563 0.697 . . . . 0.0 110.924 -179.988 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.77 138.14 37.1 Favored 'Trans proline' 0 N--CA 1.465 -0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.373 -179.973 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -87.4 -42.38 12.89 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.244 -0.435 . . . . 0.0 110.878 -179.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -155.02 160.6 41.18 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.145 179.831 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.5 p -109.82 141.64 24.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.109 179.981 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 63.8 m-85 -131.78 135.49 46.82 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.927 -179.917 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 3.5 p30 -100.96 102.0 12.92 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.81 179.977 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 84.8 t -94.81 111.52 25.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.13 179.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.41 HG22 ' N ' ' A' ' 112' ' ' GLU . 10.6 p -108.22 155.37 9.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.123 179.904 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.41 ' N ' HG22 ' A' ' 111' ' ' VAL . 10.7 tp10 -98.29 108.81 21.6 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.887 179.992 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 12.7 pt-20 -52.5 -33.68 46.1 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.88 -179.934 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 31.2 p -132.56 94.86 3.49 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.871 -179.803 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.03 -76.82 0.03 OUTLIER Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.498 -179.987 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 145.25 56.58 Favored 'Trans proline' 0 C--N 1.341 0.184 0 C-N-CA 122.708 2.272 . . . . 0.0 112.328 -179.949 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 47.2 p -86.67 116.62 24.9 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.888 -179.856 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 8.5 t -126.56 -58.85 1.32 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.856 -179.801 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.327 0 C-N-CA 120.764 -0.731 . . . . 0.0 112.505 -179.997 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.347 0 N-CA-C 112.518 -0.233 . . . . 0.0 112.518 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.3 m -143.82 125.9 15.45 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-O 120.899 0.381 . . . . 0.0 110.859 -179.741 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 11.5 t -124.64 125.31 43.92 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.89 -179.798 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -133.45 -52.98 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.501 -179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.8 m -156.17 143.29 19.03 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.872 0.367 . . . . 0.0 110.863 -179.752 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 35.8 t -82.54 109.63 16.92 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.861 -179.813 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 124.11 -158.25 18.63 Favored Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.441 179.994 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 7.6 m-80 -115.39 -55.09 2.49 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-O 120.853 0.358 . . . . 0.0 110.916 -179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.54 -49.17 25.99 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.443 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 51.28 77.72 0.12 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.717 -0.754 . . . . 0.0 112.485 -179.901 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.4 pt -56.14 144.26 60.53 Favored Pre-proline 0 C--N 1.328 -0.351 0 CA-C-O 121.634 0.731 . . . . 0.0 111.105 -179.988 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.78 155.66 65.3 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.68 2.253 . . . . 0.0 112.399 179.825 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 26.0 m-70 -71.92 151.16 43.52 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.835 179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -109.47 -63.44 1.36 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.892 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 75.4 m-20 -51.31 -46.74 62.65 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.866 -179.879 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.463 HD13 HD21 ' A' ' 101' ' ' LEU . 16.4 mt -92.64 145.46 24.41 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.932 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.476 HG13 ' HG3' ' A' ' 59' ' ' PRO . 96.5 t -88.32 117.37 31.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.14 179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.763 HD11 ' CG ' ' A' ' 99' ' ' MET . 19.1 tp -93.95 142.11 27.76 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.932 179.989 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 18.3 mm -117.79 113.32 41.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.114 179.857 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 66.4 mtm180 -115.68 120.37 39.14 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.869 179.983 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 4.4 ptp -151.61 167.87 26.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.85 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 4.1 mtpm? -116.79 153.39 49.26 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.604 0.716 . . . . 0.0 110.887 179.917 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 112.42 3.07 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.663 2.242 . . . . 0.0 112.349 179.896 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 7.1 t70 -50.89 177.97 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.882 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 34.9 tt0 -47.57 -54.46 11.67 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.879 -179.89 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 11.0 m120 -84.77 29.37 0.62 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.933 -179.98 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 45.21 48.86 10.42 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.525 -179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.8 ptm180 -126.48 113.58 17.01 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.851 0.357 . . . . 0.0 110.93 -179.892 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.464 ' CE1' HD22 ' A' ' 98' ' ' LEU . 38.7 m-85 -56.49 -56.79 16.87 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.916 -179.932 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.404 ' O ' HG13 ' A' ' 48' ' ' VAL . . . 114.33 46.32 0.64 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.479 -179.992 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 14.5 p90 -165.34 152.14 10.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.884 0.373 . . . . 0.0 110.866 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 86.8 m-20 -117.19 161.55 19.29 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.101 -0.5 . . . . 0.0 110.905 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.8 m -128.61 159.56 40.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.112 179.961 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 16.1 pttp -147.94 146.93 29.19 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.92 179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.57 ' O ' HG22 ' A' ' 43' ' ' VAL . . . 89.89 163.41 39.18 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.745 -0.74 . . . . 0.0 112.493 179.966 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 169.5 165.94 27.69 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.756 -0.735 . . . . 0.0 112.495 -179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 32.8 t80 -42.66 -40.15 2.64 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 120.872 0.368 . . . . 0.0 110.923 -179.824 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -48.21 -40.81 25.51 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.879 179.913 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.448 ' O ' ' C ' ' A' ' 40' ' ' LYS . 30.6 mt-30 -106.55 35.35 3.0 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.937 -179.912 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.448 ' C ' ' O ' ' A' ' 39' ' ' GLN . 14.7 mmmt 34.41 41.72 0.06 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 179.948 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.3 ptm -141.52 153.12 65.12 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.482 0.658 . . . . 0.0 110.907 179.91 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.523 ' HG2' HD11 ' A' ' 44' ' ' ILE . 53.8 Cg_endo -69.72 161.53 45.58 Favored 'Trans proline' 0 C--O 1.232 0.176 0 C-N-CA 122.673 2.248 . . . . 0.0 112.324 179.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.57 HG22 ' O ' ' A' ' 35' ' ' GLY . 62.0 t -96.37 98.17 7.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.155 179.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.523 HD11 ' HG2' ' A' ' 42' ' ' PRO . 4.7 mp -107.01 144.81 15.36 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.111 179.943 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 97.3 t -50.32 136.96 7.99 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 8.7 t -93.36 -62.56 1.34 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.815 -179.807 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.449 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 9.1 tpp180 -144.76 152.39 40.3 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.892 -179.923 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.449 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 48.1 t -134.81 127.93 49.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.138 179.988 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -97.35 145.76 30.21 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.556 0.693 . . . . 0.0 111.104 179.897 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.78 174.9 8.85 Favored 'Trans proline' 0 N--CA 1.465 -0.179 0 C-N-CA 122.694 2.263 . . . . 0.0 112.328 -179.995 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.48 40.95 93.06 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.482 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 72.7 p -134.45 152.35 77.77 Favored Pre-proline 0 C--N 1.33 -0.252 0 CA-C-O 121.611 0.72 . . . . 0.0 111.075 -179.839 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.78 2.75 3.26 Favored 'Trans proline' 0 C--N 1.342 0.196 0 C-N-CA 122.65 2.234 . . . . 0.0 112.328 179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -102.49 -19.73 14.79 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.121 179.88 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 1.7 t70 -98.39 -52.52 3.62 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.888 179.996 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 7.0 mt -58.67 -32.77 69.42 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.889 -179.947 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 22.1 p -53.54 158.12 1.92 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.886 179.936 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.475 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 19.9 t -120.85 124.64 27.4 Favored Pre-proline 0 C--N 1.329 -0.301 0 CA-C-O 121.635 0.731 . . . . 0.0 111.086 -179.951 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.476 ' HG3' HG13 ' A' ' 17' ' ' VAL . 53.1 Cg_endo -69.8 173.18 45.81 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.673 -1.803 . . . . 0.0 112.349 -0.031 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 26.0 ttt180 -85.7 119.63 26.24 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.856 -179.944 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 33.9 tp -70.86 91.47 0.85 Allowed 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.882 -179.956 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 21.9 p30 -108.6 169.01 8.92 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.857 179.955 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.7 mt-10 -52.04 149.33 5.21 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.869 179.992 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.55 -44.15 1.53 Allowed Glycine 0 N--CA 1.451 -0.346 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.476 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 31.6 m-20 -44.37 106.46 0.07 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.748 0.308 . . . . 0.0 110.848 -179.959 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 34.0 tt0 -85.98 114.65 23.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.891 -179.919 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 45.3 t -69.08 127.16 30.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.123 179.948 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.581 HG12 ' HG ' ' A' ' 69' ' ' LEU . 39.5 t -105.13 -47.17 9.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.142 179.894 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.581 ' HG ' HG12 ' A' ' 68' ' ' VAL . 14.7 mt -149.92 146.55 27.13 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.937 179.967 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.642 ' CG1' HG21 ' A' ' 75' ' ' ILE . 7.3 mm -100.96 116.26 44.17 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.349 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.165 179.786 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 8.0 m-20 52.26 38.86 25.84 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.897 179.962 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 69.41 41.05 79.08 Favored Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.747 -0.739 . . . . 0.0 112.516 179.997 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.549 ' HD2' ' CZ ' ' A' ' 86' ' ' PHE . 23.4 ttm-85 -131.21 145.35 51.89 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.804 0.335 . . . . 0.0 110.885 -179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.465 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 25.9 t0 -69.85 112.89 6.6 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.852 -179.993 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.642 HG21 ' CG1' ' A' ' 70' ' ' ILE . 2.6 pp -120.97 -31.95 1.49 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.138 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.516 ' N ' HD12 ' A' ' 75' ' ' ILE . . . -51.93 -16.67 0.77 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.112 179.793 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 23.8 mm-40 -99.85 21.09 13.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 36.6 m170 -128.65 161.08 30.5 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.841 -179.987 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.427 ' O ' ' C ' ' A' ' 80' ' ' HIS . 80.7 p -77.19 149.16 35.57 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.135 -179.873 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.44 ' CD2' HG23 ' A' ' 84' ' ' VAL . 10.9 t-160 -35.14 -60.17 0.48 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.866 179.907 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 13.1 t0 -39.72 -61.11 0.87 Allowed 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.854 -179.97 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 21.1 mt-30 -41.41 -52.68 3.52 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.916 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 72.8 t -54.15 -51.66 45.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.252 -0.431 . . . . 0.0 111.145 179.976 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.44 HG23 ' CD2' ' A' ' 80' ' ' HIS . 97.7 t -57.36 -43.62 82.72 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.161 179.879 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 35.2 mt -65.46 -41.8 93.0 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.549 ' CZ ' ' HD2' ' A' ' 73' ' ' ARG . 6.3 t80 -60.64 -59.23 5.72 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.907 179.882 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 67.9 mt -43.13 -65.21 0.14 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.113 179.965 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.443 ' O ' ' C ' ' A' ' 89' ' ' ALA . 45.7 mttm -52.79 -51.69 59.74 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.884 179.866 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.443 ' C ' ' O ' ' A' ' 88' ' ' LYS . . . -34.24 -55.94 0.51 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.098 179.851 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.435 ' C ' ' O ' ' A' ' 89' ' ' ALA . 7.7 t -34.96 -55.98 0.57 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.846 -179.792 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 10.0 t -42.66 -51.79 5.11 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.885 -179.95 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 5.0 mm-40 -67.75 -44.61 77.12 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.858 -179.843 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 41.2 mtt-85 -47.52 -46.68 27.74 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.836 -179.921 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 9.0 t-80 -172.13 168.63 5.73 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.841 -179.99 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.3 t -112.14 94.3 4.87 Favored 'General case' 0 C--N 1.33 -0.256 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.866 -179.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -145.01 -79.65 0.04 OUTLIER Glycine 0 N--CA 1.451 -0.33 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.489 -179.984 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -166.58 165.94 16.43 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.88 0.371 . . . . 0.0 110.871 -179.865 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.564 HD21 HD21 ' A' ' 100' ' ' LEU . 16.7 tp -119.92 126.06 49.98 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.884 -179.916 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.763 ' CG ' HD11 ' A' ' 18' ' ' LEU . 5.4 ttm -108.25 103.46 12.64 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.868 179.854 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.564 HD21 HD21 ' A' ' 98' ' ' LEU . 14.0 mt -102.46 153.56 19.93 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.927 -179.994 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.463 HD21 HD13 ' A' ' 16' ' ' LEU . 14.2 tp -123.05 100.92 7.12 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.929 179.926 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 14.3 m -109.06 142.4 21.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.108 179.886 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -88.22 136.75 31.53 Favored Pre-proline 0 C--N 1.328 -0.328 0 CA-C-O 121.595 0.712 . . . . 0.0 110.879 -179.979 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 137.67 35.91 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.616 2.21 . . . . 0.0 112.337 -179.974 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 48.2 t30 -117.09 96.66 5.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.91 -179.978 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -83.84 23.54 0.99 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.081 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 91.7 t -109.71 111.4 35.96 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.167 179.942 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 5.7 p90 -129.07 174.82 9.2 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.887 -179.855 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 0.4 OUTLIER -159.69 155.11 25.48 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.108 -0.497 . . . . 0.0 110.821 179.941 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 97.1 t -117.16 103.93 15.73 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.146 179.967 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 10.5 p -109.77 147.64 14.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.161 179.916 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 2.5 pp20? -152.29 150.28 29.59 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.879 -179.923 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 17.6 tt0 -172.96 107.63 0.16 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.882 -179.979 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 82.7 p -125.25 165.49 18.22 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.848 -179.793 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -157.78 145.02 11.16 Favored Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.48 -179.986 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 176.41 6.82 Favored 'Trans proline' 0 C--N 1.342 0.215 0 C-N-CA 122.659 2.239 . . . . 0.0 112.379 -179.952 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 54.7 m -116.72 135.43 53.77 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.866 -179.844 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 4.7 m -99.12 -52.33 3.57 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.842 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.306 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.449 -179.944 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.333 0 N-CA-C 112.495 -0.242 . . . . 0.0 112.495 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.5 t -138.35 151.44 47.54 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.867 0.365 . . . . 0.0 110.853 -179.704 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 31.3 t -89.17 130.67 35.55 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.821 -179.808 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 44.63 -168.73 0.02 OUTLIER Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.516 179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 2.9 m -143.09 156.49 44.82 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.85 0.357 . . . . 0.0 110.871 -179.772 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 87.5 p -79.07 146.31 33.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.846 -179.826 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 54.56 -125.63 35.11 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.538 -179.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.1 p-10 -140.87 149.7 42.28 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.867 0.365 . . . . 0.0 110.876 -179.909 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -123.13 166.31 15.56 Favored Glycine 0 N--CA 1.45 -0.373 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.491 179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 105.22 59.71 0.65 Allowed Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.518 -179.882 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.632 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -41.04 149.56 0.34 Allowed Pre-proline 0 C--N 1.329 -0.303 0 CA-C-O 121.62 0.724 . . . . 0.0 111.136 -179.949 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.0 Cg_endo -69.78 138.35 37.55 Favored 'Trans proline' 0 C--O 1.232 0.199 0 C-N-CA 122.694 2.263 . . . . 0.0 112.308 179.942 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 3.5 t-160 -132.82 162.21 32.12 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.853 179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 9.5 m-20 -80.94 96.35 7.04 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.899 179.971 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 50.2 t-20 -49.62 -46.29 49.2 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.844 -179.879 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -73.94 152.61 40.07 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.935 179.948 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.59 ' CG1' HG23 ' A' ' 102' ' ' VAL . 10.2 p -91.45 149.63 4.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.14 179.828 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.83 HD11 ' HG2' ' A' ' 99' ' ' MET . 9.1 tp -114.57 144.97 42.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.931 179.975 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.519 HD13 ' HG2' ' A' ' 59' ' ' PRO . 7.0 mm -116.73 123.68 71.96 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.111 179.886 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 24.8 mtm180 -121.64 136.98 54.93 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.895 179.99 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . 0.527 ' HE1' HD12 ' A' ' 100' ' ' LEU . 0.2 OUTLIER -162.8 156.42 20.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.824 179.989 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.6 ptmm? -118.05 149.53 45.71 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.629 0.728 . . . . 0.0 110.883 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.76 149.31 66.72 Favored 'Trans proline' 0 C--N 1.342 0.23 0 C-N-CA 122.709 2.273 . . . . 0.0 112.327 179.944 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 0.5 OUTLIER -87.2 -176.06 5.53 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.2 -0.454 . . . . 0.0 110.818 179.948 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 59.3 mt-10 -49.94 -53.12 28.28 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.852 -179.906 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 68.7 m-20 -67.01 -18.95 65.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.89 -179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 79.43 43.25 10.61 Favored Glycine 0 N--CA 1.452 -0.267 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.471 179.983 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 60.5 mtp85 -140.12 144.95 37.01 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.839 0.352 . . . . 0.0 110.868 -179.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.429 ' CE2' ' CD1' ' A' ' 98' ' ' LEU . 95.8 m-85 -96.42 -177.28 3.9 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.839 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.591 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -128.5 73.06 0.46 Allowed Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.726 -0.75 . . . . 0.0 112.5 -179.928 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.451 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 25.6 p90 -165.37 130.44 2.5 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.882 0.372 . . . . 0.0 110.903 -179.819 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 41.2 m-20 -107.71 158.2 17.48 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.873 -179.943 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 30.8 m -132.93 166.63 28.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.111 -0.495 . . . . 0.0 111.126 179.941 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 63.7 pttt -151.42 134.28 15.72 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.874 179.896 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.713 ' O ' HG22 ' A' ' 43' ' ' VAL . . . 108.53 157.15 18.72 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.493 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . -172.28 -159.46 18.76 Favored Glycine 0 N--CA 1.452 -0.26 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.436 -179.927 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.448 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 35.6 t80 -79.15 -30.11 43.44 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.896 0.379 . . . . 0.0 110.923 -179.784 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.453 ' HB3' ' NE2' ' A' ' 39' ' ' GLN . 2.3 t70 -71.03 -38.23 72.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.856 179.925 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.453 ' NE2' ' HB3' ' A' ' 38' ' ' ASP . 19.8 mp0 -88.63 15.11 8.6 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.921 -179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 48.4 mttt 42.5 29.71 0.17 Allowed 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.871 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.7 ptm -130.44 152.41 80.25 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.561 0.696 . . . . 0.0 110.869 179.849 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.44 ' HG2' ' CD1' ' A' ' 44' ' ' ILE . 53.9 Cg_endo -69.77 157.32 60.77 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.67 2.247 . . . . 0.0 112.332 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.713 HG22 ' O ' ' A' ' 35' ' ' GLY . 60.5 t -91.61 99.85 10.32 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.137 179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.44 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 4.2 mp -114.16 142.87 25.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.153 -0.476 . . . . 0.0 111.158 179.916 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 74.2 t -53.38 128.39 12.88 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.103 179.878 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 86.3 p -87.45 -63.77 1.25 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.845 -179.851 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.5 tpp180 -138.72 149.63 45.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.893 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 94.1 t -135.77 119.38 24.24 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.108 -179.994 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -84.07 146.21 48.02 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.576 0.703 . . . . 0.0 111.112 179.867 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 177.91 5.1 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.736 2.291 . . . . 0.0 112.324 -179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 52.52 35.66 45.39 Favored Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.517 -179.984 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.591 HG21 ' HA3' ' A' ' 30' ' ' GLY . 22.7 p -123.84 154.09 67.29 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.541 0.686 . . . . 0.0 111.151 -179.859 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.76 2.45 3.52 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.671 2.247 . . . . 0.0 112.378 179.917 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -110.97 -13.45 14.1 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.11 179.895 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.3 t70 -107.47 -8.82 16.13 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.865 179.969 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.0 mt -108.64 -29.19 8.85 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.892 -179.921 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 6.1 p -54.1 155.6 3.5 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.905 179.932 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.456 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 38.3 t -117.84 124.72 28.56 Favored Pre-proline 0 C--N 1.329 -0.284 0 CA-C-O 121.615 0.721 . . . . 0.0 111.129 -179.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.519 ' HG2' HD13 ' A' ' 19' ' ' ILE . 53.9 Cg_endo -69.75 169.6 62.51 Favored 'Cis proline' 0 C--N 1.341 0.152 0 C-N-CA 122.685 -1.798 . . . . 0.0 112.328 -0.024 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 32.1 ttt180 -83.7 139.21 32.9 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.848 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 24.7 tp -86.29 84.4 7.47 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.899 -179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 16.3 p-10 -85.84 150.33 24.62 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.907 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 16.6 mp0 -50.32 137.95 17.58 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.885 179.996 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.414 ' O ' ' N ' ' A' ' 66' ' ' GLN . . . 111.53 -34.39 5.29 Favored Glycine 0 N--CA 1.452 -0.263 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.429 -179.978 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 36.6 m-20 -51.99 90.71 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.794 0.331 . . . . 0.0 110.897 -179.989 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.414 ' N ' ' O ' ' A' ' 64' ' ' GLY . 10.9 tt0 -64.43 122.71 17.39 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.892 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 15.4 t -80.99 127.3 39.65 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.114 179.956 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.1 t -102.14 -34.46 3.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.14 -0.482 . . . . 0.0 111.102 179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.459 ' CD2' ' HA ' ' A' ' 74' ' ' ASP . 72.1 mt -151.44 132.85 14.63 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.865 179.943 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 99.0 mt -104.61 105.54 18.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.132 179.847 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 38.9 m-20 61.96 40.06 12.77 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.18 -0.463 . . . . 0.0 110.841 179.922 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 65.57 46.82 82.72 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.491 179.957 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.592 ' O ' HG23 ' A' ' 75' ' ' ILE . 10.4 tpt180 -137.82 125.75 22.68 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.815 0.341 . . . . 0.0 110.836 -179.833 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.459 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 0.8 OUTLIER -61.95 88.65 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 179.938 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.592 HG23 ' O ' ' A' ' 73' ' ' ARG . 1.9 pp -93.85 -15.74 7.79 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.142 179.96 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -52.29 -24.16 6.97 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.085 179.819 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.448 ' O ' ' CB ' ' A' ' 37' ' ' TYR . 8.4 mm-40 -95.72 -29.02 14.5 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.255 -0.43 . . . . 0.0 110.865 -179.926 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 45.3 m170 -64.09 142.76 58.29 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.893 179.978 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.9 p -70.72 153.37 42.86 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.126 -179.871 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 31.0 t60 -47.49 -47.05 27.66 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.819 179.952 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -51.26 -61.94 1.92 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.88 179.961 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 83' ' ' VAL . 47.1 mm-40 -54.85 -63.9 1.01 Allowed 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.882 -179.898 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.479 HG22 ' HB ' ' A' ' 75' ' ' ILE . 31.5 t -36.15 -62.11 0.09 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.116 179.985 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.644 HG12 ' HE2' ' A' ' 88' ' ' LYS . 20.9 t -41.93 -47.44 0.95 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.125 179.971 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 10.5 mp -68.48 -46.98 68.24 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.865 179.967 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.451 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 5.6 t80 -42.59 -45.33 4.54 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.902 179.95 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 52.3 mt -61.18 -45.22 99.02 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.118 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.644 ' HE2' HG12 ' A' ' 84' ' ' VAL . 0.0 OUTLIER -64.91 -25.6 67.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.823 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.451 ' HB3' ' O ' ' A' ' 86' ' ' PHE . . . -50.65 -38.97 49.37 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.22 -0.446 . . . . 0.0 111.151 179.827 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.406 ' C ' ' O ' ' A' ' 89' ' ' ALA . 15.1 t -38.04 -53.04 1.4 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.846 -179.788 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 52.8 t -41.4 -47.93 3.67 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.891 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 18.3 mt-10 -96.02 41.79 1.1 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.886 -179.861 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 9.3 mmt85 -135.83 171.94 13.74 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.89 -179.947 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 45.1 m-70 -47.44 99.49 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.85 -179.993 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 19.7 m -50.81 100.63 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.827 -179.784 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -143.75 -75.06 0.03 OUTLIER Glycine 0 N--CA 1.452 -0.269 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.506 179.974 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 26.8 tt0 -172.63 167.18 5.45 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.905 0.383 . . . . 0.0 110.872 -179.891 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.462 HD21 HD21 ' A' ' 100' ' ' LEU . 1.2 tt -118.02 133.87 55.51 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.147 -0.478 . . . . 0.0 110.942 -179.999 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.83 ' HG2' HD11 ' A' ' 18' ' ' LEU . 5.2 ttm -129.47 120.49 25.52 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.874 179.83 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.527 HD12 ' HE1' ' A' ' 21' ' ' MET . 5.7 mt -117.68 158.59 24.42 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.909 -179.958 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.438 HD12 ' HA ' ' A' ' 101' ' ' LEU . 8.9 tp -119.38 106.06 11.91 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.902 179.905 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.59 HG23 ' CG1' ' A' ' 17' ' ' VAL . 16.1 m -117.38 160.75 16.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.221 -0.445 . . . . 0.0 111.16 179.855 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 39.8 ttm180 -105.06 128.31 26.94 Favored Pre-proline 0 C--N 1.328 -0.329 0 CA-C-O 121.583 0.706 . . . . 0.0 110.87 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.71 148.48 65.49 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.691 2.261 . . . . 0.0 112.381 179.98 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 43.6 t30 -95.52 77.62 3.35 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.865 -179.97 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -61.56 149.52 38.8 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.142 179.821 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.425 HG12 ' H ' ' A' ' 109' ' ' ASP . 2.9 t -116.22 141.73 32.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.13 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 17.8 p90 -67.68 -11.55 58.52 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.934 -179.9 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.425 ' H ' HG12 ' A' ' 107' ' ' VAL . 4.7 t70 -63.65 132.43 51.09 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.1 -0.5 . . . . 0.0 110.894 179.881 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.435 ' O ' HG13 ' A' ' 110' ' ' VAL . 10.8 p -121.94 128.14 75.56 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.131 179.991 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.548 HG22 ' N ' ' A' ' 112' ' ' GLU . 12.6 p -137.45 161.3 34.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.15 179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.548 ' N ' HG22 ' A' ' 111' ' ' VAL . 11.3 tt0 -136.69 132.49 34.99 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.843 -179.903 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.5 pm0 -93.76 -1.94 54.37 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.883 -179.953 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 38.4 m -106.49 166.48 10.52 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.832 -179.761 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -113.43 -168.35 16.83 Favored Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.451 -179.992 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 -9.46 26.18 Favored 'Trans proline' 0 C--N 1.342 0.194 0 C-N-CA 122.696 2.264 . . . . 0.0 112.36 -179.949 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.8 t -51.42 155.45 1.48 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.875 -179.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 81.1 p -76.28 -47.01 25.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.852 -179.816 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.724 -0.75 . . . . 0.0 112.483 -179.998 . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.33 0 N-CA-C 112.488 -0.245 . . . . 0.0 112.488 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 p -170.79 176.46 4.17 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.837 0.351 . . . . 0.0 110.895 -179.754 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 3.6 m -110.66 144.82 38.99 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.86 -179.839 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -170.33 160.07 32.71 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.458 -179.969 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 23.0 t -150.51 129.56 12.63 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-O 120.885 0.374 . . . . 0.0 110.9 -179.788 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 38.4 m -117.56 108.35 15.37 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.848 -179.793 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -83.28 68.53 3.54 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.503 179.982 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 3.2 p-10 -118.4 160.55 21.49 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.886 0.374 . . . . 0.0 110.854 -179.89 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -105.84 -110.61 3.51 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.503 179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 172.72 119.11 0.51 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.725 -0.75 . . . . 0.0 112.455 -179.915 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.547 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -42.65 151.03 0.39 Allowed Pre-proline 0 C--N 1.328 -0.346 0 CA-C-O 121.651 0.739 . . . . 0.0 111.137 -179.965 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.8 174.62 9.27 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.685 2.256 . . . . 0.0 112.338 179.889 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 17.5 p80 -45.53 118.52 1.8 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.829 179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 12.5 t70 -108.87 142.72 39.06 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.864 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -50.79 -50.5 55.96 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 -179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 7.4 mp -58.02 155.76 10.38 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.959 179.916 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 42.4 t -82.47 133.48 29.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.218 -0.446 . . . . 0.0 111.118 179.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 7.8 tp -110.94 141.29 44.57 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.855 -179.997 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.409 HG13 HD13 ' A' ' 61' ' ' LEU . 35.5 mm -111.96 135.17 52.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.186 179.813 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 63.6 mtm180 -135.01 124.78 25.36 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.899 179.936 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 7.5 ptp -149.51 169.44 20.92 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.897 179.976 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.1 pttt -126.94 150.93 73.17 Favored Pre-proline 0 C--N 1.329 -0.326 0 CA-C-O 121.601 0.715 . . . . 0.0 110.886 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.82 135.75 31.08 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.652 2.235 . . . . 0.0 112.324 179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.7 m-20 -69.58 176.82 3.26 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.897 179.922 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 47.7 tt0 -46.82 -46.6 20.92 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 -179.895 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 32.9 m120 -67.77 -27.29 66.64 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.916 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 90.75 41.04 5.47 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.467 179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 19.3 ptp180 -135.27 148.08 49.44 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.779 0.323 . . . . 0.0 110.919 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.585 ' CZ ' HD22 ' A' ' 98' ' ' LEU . 73.1 m-85 -87.9 -175.04 4.98 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.868 -179.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -136.89 59.94 0.63 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.466 -179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 37.7 p90 -162.74 133.37 4.73 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.878 0.37 . . . . 0.0 110.844 -179.893 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 20.3 m120 -103.11 157.83 16.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.136 -0.484 . . . . 0.0 110.875 -179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 9.8 m -131.36 140.21 48.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.08 179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 38.7 pttt -132.63 158.55 41.98 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 94.71 -145.4 17.69 Favored Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.774 -0.727 . . . . 0.0 112.496 179.942 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 106.09 171.07 23.24 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.491 -179.875 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 84.9 t80 -42.45 -35.58 1.08 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-O 120.849 0.357 . . . . 0.0 110.913 -179.8 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 53.0 t0 -46.29 -43.0 15.35 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.841 179.928 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.486 ' O ' ' N ' ' A' ' 41' ' ' MET . 13.5 mm-40 -114.92 38.1 3.26 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.901 -179.904 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.428 ' C ' ' O ' ' A' ' 39' ' ' GLN . 11.9 mttp 35.31 31.85 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.864 179.918 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.486 ' N ' ' O ' ' A' ' 39' ' ' GLN . 19.0 ptm -127.95 152.71 77.78 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.558 0.694 . . . . 0.0 110.898 179.874 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.76 150.05 67.69 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.694 2.263 . . . . 0.0 112.311 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 71.3 t -70.15 96.37 0.47 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.202 -0.453 . . . . 0.0 111.183 179.861 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 39.5 mm -101.92 137.95 27.92 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.091 179.968 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 71.0 t -50.77 132.62 11.54 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.28 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.129 179.831 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 10.5 t -85.54 -63.32 1.34 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.862 -179.837 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 6.6 tpt180 -146.03 159.42 43.3 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.865 -179.946 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 61.8 t -131.97 125.96 55.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.122 -179.994 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.409 ' HB3' HG21 ' A' ' 52' ' ' THR . . . -88.74 146.31 36.79 Favored Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.566 0.698 . . . . 0.0 111.133 179.883 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.82 163.95 36.39 Favored 'Trans proline' 0 C--N 1.341 0.147 0 C-N-CA 122.702 2.268 . . . . 0.0 112.316 -179.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 50.03 39.77 34.36 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.504 179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.409 HG21 ' HB3' ' A' ' 49' ' ' ALA . 33.1 p -113.52 153.73 45.69 Favored Pre-proline 0 C--N 1.33 -0.274 0 CA-C-O 121.567 0.699 . . . . 0.0 111.133 -179.847 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 2.88 3.14 Favored 'Trans proline' 0 C--O 1.231 0.155 0 C-N-CA 122.711 2.274 . . . . 0.0 112.345 179.902 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -107.24 -19.07 13.71 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.22 -0.445 . . . . 0.0 111.088 179.907 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -98.34 -52.64 3.59 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.853 179.991 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.3 mt -53.62 -34.0 56.98 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.913 -179.964 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 14.4 p -64.61 166.2 8.99 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.837 179.967 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.674 HG23 ' HA ' ' A' ' 59' ' ' PRO . 4.5 p -134.97 137.57 27.49 Favored Pre-proline 0 C--N 1.33 -0.259 0 CA-C-O 121.578 0.704 . . . . 0.0 111.154 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.674 ' HA ' HG23 ' A' ' 58' ' ' VAL . 53.3 Cg_endo -69.77 133.16 24.6 Favored 'Cis proline' 0 C--N 1.341 0.157 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.342 0.003 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.401 ' N ' ' HA ' ' A' ' 58' ' ' VAL . 3.6 ttm105 -52.48 131.56 33.93 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.264 -0.426 . . . . 0.0 110.873 -179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.557 HD12 ' OD2' ' A' ' 65' ' ' ASP . 30.7 tp -79.29 89.37 4.93 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.899 -179.971 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 6.5 p30 -94.75 150.94 19.68 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.929 179.894 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 42.1 mp0 -46.35 145.63 1.66 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.838 -179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.403 ' O ' ' C ' ' A' ' 65' ' ' ASP . . . 109.29 -43.84 1.63 Allowed Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.951 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.557 ' OD2' HD12 ' A' ' 61' ' ' LEU . 74.7 m-20 -38.09 122.15 1.01 Allowed 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 120.774 0.321 . . . . 0.0 110.87 -179.999 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 44.8 tt0 -89.79 109.26 20.26 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.896 -179.924 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 59.4 t -77.9 110.75 13.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.135 179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.595 HG12 ' HG ' ' A' ' 69' ' ' LEU . 92.6 t -88.81 -45.46 15.57 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.114 179.93 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.595 ' HG ' HG12 ' A' ' 68' ' ' VAL . 86.8 mt -148.17 149.57 32.22 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.938 179.99 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.69 HG23 HD23 ' A' ' 100' ' ' LEU . 70.1 mt -121.09 121.77 65.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.139 179.867 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 2.1 m-80 53.5 41.82 32.04 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.902 179.951 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 55.73 34.74 61.23 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.489 179.985 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.576 ' O ' HG23 ' A' ' 75' ' ' ILE . 8.6 mmm180 -129.05 119.84 24.92 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.79 0.329 . . . . 0.0 110.869 -179.854 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.456 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 3.6 m-20 -47.07 119.35 2.51 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 179.978 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.576 HG23 ' O ' ' A' ' 73' ' ' ARG . 2.7 pp -115.37 -32.61 1.93 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.115 179.996 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.565 ' N ' HD12 ' A' ' 75' ' ' ILE . . . -45.92 -46.87 16.33 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.12 179.772 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 69.7 mm-40 -62.49 -30.63 71.41 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.886 -179.901 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.522 ' CG ' ' HG2' ' A' ' 82' ' ' GLN . 6.3 m170 -73.95 164.43 26.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.888 179.957 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.4 ' O ' ' C ' ' A' ' 80' ' ' HIS . 14.0 p -102.8 152.16 21.58 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.171 -179.97 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.419 ' CD2' ' C ' ' A' ' 80' ' ' HIS . 5.2 t60 -37.33 -64.11 0.4 Allowed 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.881 179.959 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 15.8 m-20 -38.36 -38.74 0.38 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.522 ' HG2' ' CG ' ' A' ' 78' ' ' HIS . 26.7 tp60 -80.09 -57.78 3.47 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.961 -179.94 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 74.3 t -41.21 -41.75 0.68 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.097 179.981 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.46 HG12 ' HE2' ' A' ' 88' ' ' LYS . 98.5 t -58.97 -57.83 9.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.122 179.969 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.404 ' O ' ' C ' ' A' ' 86' ' ' PHE . 4.0 mp -60.68 -50.1 74.87 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.905 179.975 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.404 ' C ' ' O ' ' A' ' 85' ' ' LEU . 22.1 t80 -37.89 -46.31 0.94 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.877 179.922 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 35.4 mt -68.0 -52.05 43.04 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.145 -0.479 . . . . 0.0 111.129 -179.979 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.46 ' HE2' HG12 ' A' ' 84' ' ' VAL . 45.2 mtmt -51.93 -40.36 60.64 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.948 179.837 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.401 ' O ' ' C ' ' A' ' 90' ' ' SER . . . -41.64 -42.93 2.64 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.134 179.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.401 ' C ' ' O ' ' A' ' 89' ' ' ALA . 4.6 t -37.71 -38.48 0.28 Allowed 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.816 -179.793 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.451 ' O ' ' C ' ' A' ' 92' ' ' GLU . 39.4 t -43.75 -46.99 7.86 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.901 -179.946 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.47 ' HG3' ' N ' ' A' ' 93' ' ' ARG . 14.7 pt-20 -34.61 -36.65 0.05 OUTLIER 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.891 -179.861 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.47 ' N ' ' HG3' ' A' ' 92' ' ' GLU . 7.4 ptm180 -120.75 138.26 54.09 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.891 -179.89 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 22.4 m80 -100.28 -52.32 3.41 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.802 -179.96 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 6.2 m -59.19 89.93 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.889 -179.771 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 158.97 -179.41 34.62 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.805 -0.712 . . . . 0.0 112.487 -179.984 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 3.2 pt-20 -130.46 172.41 11.92 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.911 0.386 . . . . 0.0 110.892 -179.918 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.585 HD22 ' CZ ' ' A' ' 29' ' ' PHE . 8.3 tp -114.94 131.34 56.92 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.131 -0.486 . . . . 0.0 110.927 -179.985 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 9.7 mtt -119.22 134.11 55.39 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.85 179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.69 HD23 HG23 ' A' ' 70' ' ' ILE . 6.6 mt -132.76 131.56 41.29 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.94 179.98 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.1 tp -98.77 104.35 16.39 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.888 179.886 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 17.3 m -108.52 158.12 8.48 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.261 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.103 179.822 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 48.9 ttt85 -95.03 134.21 25.09 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.617 0.722 . . . . 0.0 110.871 -179.972 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 131.24 20.85 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.722 2.282 . . . . 0.0 112.343 179.986 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.8 m120 -109.71 84.13 1.87 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.937 179.962 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -68.83 107.24 2.98 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.154 179.867 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 9.6 p -174.95 148.25 0.39 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.151 179.995 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.2 p90 -137.9 116.1 11.79 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.926 -179.888 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 62.4 m-20 -157.94 147.24 19.66 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.881 179.923 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 93.9 t -111.85 135.71 50.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.977 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.403 HG22 ' N ' ' A' ' 112' ' ' GLU . 14.5 p -152.82 154.0 8.34 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.162 179.923 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . 0.403 ' N ' HG22 ' A' ' 111' ' ' VAL . 2.2 tp10 -111.15 119.94 40.65 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.929 179.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 26.5 mm-40 -134.71 96.15 3.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.925 -179.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 88.7 p -81.93 154.95 25.51 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.88 -179.789 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -144.24 85.56 0.18 Allowed Glycine 0 N--CA 1.452 -0.274 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.482 -179.993 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 2.83 3.16 Favored 'Trans proline' 0 C--N 1.341 0.16 0 C-N-CA 122.686 2.257 . . . . 0.0 112.4 -179.99 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 71.4 m -85.07 110.64 19.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.879 -179.846 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.2 t -106.41 -61.31 1.54 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.156 -0.475 . . . . 0.0 110.868 -179.801 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.266 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.502 -179.994 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.34 0 N-CA-C 112.494 -0.243 . . . . 0.0 112.494 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.5 m -130.07 170.37 14.1 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.873 0.368 . . . . 0.0 110.848 -179.763 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 5.9 t -45.81 -46.83 15.71 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.819 -179.784 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 129.93 163.02 10.99 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.486 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 1.7 t -141.86 153.69 44.63 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-O 120.876 0.369 . . . . 0.0 110.847 -179.7 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 63.2 p -141.85 146.65 36.08 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.879 -179.823 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.27 -89.17 1.87 Allowed Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.709 -0.758 . . . . 0.0 112.469 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 11.0 p-10 -127.14 -50.75 1.43 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.852 0.358 . . . . 0.0 110.9 -179.901 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.27 -71.67 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.508 179.98 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -163.0 131.39 2.47 Favored Glycine 0 N--CA 1.451 -0.341 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.529 -179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 33.6 mt -51.96 130.56 39.3 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.631 0.729 . . . . 0.0 111.134 -179.965 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 133.48 25.63 Favored 'Trans proline' 0 C--O 1.232 0.181 0 C-N-CA 122.705 2.27 . . . . 0.0 112.344 179.883 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 18.9 m80 -83.88 157.71 21.88 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.842 179.984 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 29.0 m-20 -106.74 144.68 33.04 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.884 179.982 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 12.0 m120 -119.92 84.78 2.27 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.874 -179.906 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 21.4 mt -106.03 158.16 17.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.927 179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 91.3 t -85.25 139.87 16.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.204 179.815 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.2 tp -121.57 129.02 52.6 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.933 179.992 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.424 HD13 ' HG2' ' A' ' 59' ' ' PRO . 25.7 mm -92.82 119.87 41.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.085 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 41.9 mtp180 -117.87 132.37 56.43 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.883 179.952 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.37 159.14 16.8 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.881 179.961 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 12.3 ptmt -112.96 144.47 31.14 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.573 0.701 . . . . 0.0 110.943 179.943 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 125.01 11.65 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.738 2.292 . . . . 0.0 112.331 179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.442 ' O ' ' C ' ' A' ' 25' ' ' GLU . 1.2 p30 -58.02 179.53 0.07 Allowed 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.838 179.905 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . 0.442 ' C ' ' O ' ' A' ' 24' ' ' ASP . 33.9 mp0 -34.53 -61.95 0.37 Allowed 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.894 -179.897 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 2.7 m-80 -76.68 -27.34 55.53 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.848 -179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 83.34 42.27 8.02 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.487 179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 51.3 mtt180 -105.38 84.82 2.15 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.845 0.355 . . . . 0.0 110.882 -179.835 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.47 ' CZ ' HD23 ' A' ' 98' ' ' LEU . 13.7 m-85 -53.33 125.06 16.45 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.873 -179.895 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.527 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -82.5 71.0 3.06 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.472 -179.927 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.496 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 1.8 p90 -160.77 125.53 3.68 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 120.823 0.344 . . . . 0.0 110.876 -179.86 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 7.6 t30 -108.67 150.2 27.88 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.902 -179.96 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.9 m -121.49 161.54 21.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.142 179.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 36.8 pttt -148.0 150.83 34.7 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.866 179.929 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 102.46 -156.13 18.41 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.517 179.95 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 122.75 160.26 10.84 Favored Glycine 0 N--CA 1.451 -0.345 0 C-N-CA 120.767 -0.73 . . . . 0.0 112.511 -179.914 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 29.0 t80 -44.79 -32.24 1.48 Allowed 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 120.873 0.368 . . . . 0.0 110.927 -179.803 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 8.4 t70 -57.35 -43.33 83.35 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.885 179.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.42 ' O ' ' N ' ' A' ' 41' ' ' MET . 51.5 mm-40 -101.56 29.22 4.98 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.923 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.4 ' C ' ' O ' ' A' ' 39' ' ' GLN . 0.2 OUTLIER 37.72 31.79 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.91 179.964 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.42 ' N ' ' O ' ' A' ' 39' ' ' GLN . 9.5 ptm -132.15 153.54 81.35 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.574 0.702 . . . . 0.0 110.879 179.847 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.42 ' HG2' ' CD1' ' A' ' 44' ' ' ILE . 53.1 Cg_endo -69.8 152.29 69.04 Favored 'Trans proline' 0 C--N 1.342 0.201 0 C-N-CA 122.669 2.246 . . . . 0.0 112.283 -179.942 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 29.0 t -85.55 103.59 12.6 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.121 179.94 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.42 ' CD1' ' HG2' ' A' ' 42' ' ' PRO . 4.2 mp -118.23 139.65 44.62 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.15 179.922 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 84.5 t -50.33 111.66 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.099 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 4.7 t -61.46 -63.25 1.34 Allowed 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.883 -179.831 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.0 ttp180 -146.1 167.51 23.23 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.879 -179.974 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.406 HG13 ' O ' ' A' ' 30' ' ' GLY . 42.7 t -140.79 131.0 27.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.146 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -89.52 145.77 34.43 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.568 0.699 . . . . 0.0 111.087 179.908 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.71 160.91 47.97 Favored 'Trans proline' 0 C--N 1.341 0.169 0 C-N-CA 122.694 2.262 . . . . 0.0 112.332 179.996 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 57.73 34.31 70.2 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.711 -0.757 . . . . 0.0 112.478 179.971 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.527 HG21 ' HA3' ' A' ' 30' ' ' GLY . 75.4 p -111.61 151.82 43.61 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.548 0.69 . . . . 0.0 111.151 -179.84 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 1.66 4.21 Favored 'Trans proline' 0 C--O 1.231 0.174 0 C-N-CA 122.677 2.251 . . . . 0.0 112.317 179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -104.34 -19.85 13.94 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.265 -0.425 . . . . 0.0 111.059 179.92 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 6.7 t70 -99.09 -45.03 6.06 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.831 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 5.2 mt -59.31 -30.65 68.5 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.899 -179.927 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.3 p -71.18 136.32 48.02 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.854 179.928 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.677 HG23 ' HA ' ' A' ' 59' ' ' PRO . 4.2 p -97.21 137.66 21.21 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.628 0.728 . . . . 0.0 111.145 179.983 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.677 ' HA ' HG23 ' A' ' 58' ' ' VAL . 53.6 Cg_endo -69.7 138.22 47.78 Favored 'Cis proline' 0 C--O 1.231 0.17 0 C-N-CA 122.689 -1.796 . . . . 0.0 112.371 -0.083 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 21.0 ttt180 -55.34 115.47 2.3 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.246 -0.433 . . . . 0.0 110.91 179.99 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 11.3 tp -64.64 100.42 0.38 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.957 179.995 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.415 ' O ' ' CG ' ' A' ' 65' ' ' ASP . 38.4 p30 -111.16 148.77 32.02 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.892 179.968 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 36.2 mt-10 -40.07 142.73 0.34 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.906 -179.959 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 107.68 -43.35 1.71 Allowed Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.68 -0.772 . . . . 0.0 112.487 -179.955 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.473 ' OD1' ' N ' ' A' ' 65' ' ' ASP . 0.4 OUTLIER -47.39 100.46 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.714 0.292 . . . . 0.0 110.851 -179.939 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 21.6 tt0 -76.04 140.55 41.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.929 -179.936 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 61.8 t -92.67 134.29 31.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.124 179.949 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 45.7 t -110.63 -39.78 3.84 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.124 179.924 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.416 ' CD2' ' HA ' ' A' ' 74' ' ' ASP . 95.3 mt -152.59 148.04 26.88 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.901 179.971 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.876 HD12 HG21 ' A' ' 75' ' ' ILE . 70.8 mt -113.85 117.1 54.51 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 CA-C-N 116.16 -0.473 . . . . 0.0 111.14 179.848 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 12.6 m-80 52.58 34.09 14.95 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.93 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.05 42.63 58.71 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.476 -179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 17.8 ttt-85 -136.98 139.33 41.39 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 120.829 0.347 . . . . 0.0 110.836 -179.848 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.416 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 8.0 t70 -74.22 102.18 4.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.834 179.943 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.876 HG21 HD12 ' A' ' 70' ' ' ILE . 2.2 pp -105.6 15.48 6.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.098 179.966 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -78.99 -40.64 31.0 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.086 179.827 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 31.4 tt0 -66.93 -31.25 71.71 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 79.2 m80 -71.61 164.16 26.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.837 180.0 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 67.5 p -102.93 159.66 15.3 Favored 'General case' 0 C--N 1.33 -0.247 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.131 -179.882 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.493 ' O ' HG23 ' A' ' 84' ' ' VAL . 79.6 t60 -44.05 -58.98 2.52 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.832 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.765 ' O ' HD13 ' A' ' 85' ' ' LEU . 13.7 m-20 -40.03 -35.01 0.33 Allowed 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.842 179.978 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 16.9 tp60 -84.94 -64.92 1.07 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.932 -179.953 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 78.3 t -38.81 -39.92 0.33 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.124 179.963 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.493 HG23 ' O ' ' A' ' 80' ' ' HIS . 96.0 t -61.37 -49.42 84.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.14 179.95 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.765 HD13 ' O ' ' A' ' 81' ' ' ASP . 10.9 mp -64.94 -48.01 75.62 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.908 179.98 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.409 ' O ' ' HB3' ' A' ' 89' ' ' ALA . 2.5 t80 -40.06 -64.68 0.47 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.851 179.976 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 23.4 mt -53.31 -47.17 57.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.128 -179.989 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.0 mtpp -55.21 -38.07 67.95 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.878 179.865 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.409 ' HB3' ' O ' ' A' ' 86' ' ' PHE . . . -49.36 -22.97 1.26 Allowed 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.073 179.862 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.9 t -58.23 -38.73 77.4 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.844 -179.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 20.4 p -46.19 -31.38 2.4 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.874 -179.941 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 33.8 tt0 -121.19 83.92 2.15 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.883 -179.867 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 6.5 mmm180 -140.32 163.94 31.43 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.914 -179.937 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 40.2 t60 -71.47 -56.93 4.96 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.834 -179.947 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 2.4 m -172.06 134.84 0.76 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.863 -179.802 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 172.88 -171.6 44.52 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.728 -0.748 . . . . 0.0 112.455 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 2.9 tp10 -135.62 138.47 42.93 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.944 0.402 . . . . 0.0 110.858 -179.895 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.47 HD23 ' CZ ' ' A' ' 29' ' ' PHE . 0.2 OUTLIER -75.26 108.13 7.83 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.136 -0.483 . . . . 0.0 110.903 -179.986 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 2.7 mtt -116.26 141.31 48.32 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.895 179.84 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.3 mt -138.91 132.89 31.12 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.237 -0.438 . . . . 0.0 110.951 -179.991 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.0 tp -95.72 100.23 11.97 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.908 179.932 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.2 m -103.42 153.08 5.9 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.111 179.842 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 44.8 ttt-85 -101.7 133.41 20.8 Favored Pre-proline 0 C--N 1.33 -0.281 0 CA-C-O 121.543 0.687 . . . . 0.0 110.872 -179.973 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.3 Cg_endo -69.72 122.48 9.17 Favored 'Trans proline' 0 C--N 1.341 0.138 0 C-N-CA 122.694 2.263 . . . . 0.0 112.36 179.976 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 3.0 t30 -100.58 81.55 2.34 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.242 -0.436 . . . . 0.0 110.901 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -162.12 141.64 9.7 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.198 -0.456 . . . . 0.0 111.115 179.899 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 28.6 m -68.39 -179.05 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.116 179.993 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.508 ' O ' ' CD1' ' A' ' 108' ' ' TYR . 13.4 p90 -138.43 125.53 21.42 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.905 -179.888 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.4 p-10 -170.16 160.18 7.84 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.848 179.862 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 11.4 p -94.97 146.14 7.22 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.27 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.112 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.3 p -58.45 137.73 20.4 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.163 -0.472 . . . . 0.0 111.129 179.911 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 10.2 pt-20 -129.07 136.74 50.66 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.87 179.999 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -167.12 106.31 0.58 Allowed 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.866 -179.942 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 12.2 t -67.02 162.36 22.29 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.853 -179.82 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 148.19 147.65 4.58 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.445 179.964 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.58 33.99 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.715 2.277 . . . . 0.0 112.313 -179.933 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 2.4 m -76.43 136.73 39.44 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.829 -179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.3 t -90.52 -61.42 1.68 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.886 -179.86 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.31 0 C-N-CA 120.707 -0.759 . . . . 0.0 112.493 -179.982 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.453 -0.259 . . . . 0.0 112.453 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 49.7 p -165.69 141.13 4.99 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 120.857 0.361 . . . . 0.0 110.85 -179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.2 t -99.59 93.83 6.06 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.842 -179.848 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -154.05 146.3 14.39 Favored Glycine 0 N--CA 1.45 -0.387 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.525 179.995 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 86.5 p -132.19 42.68 3.1 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.888 0.375 . . . . 0.0 110.846 -179.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 8.4 t 70.21 41.66 1.04 Allowed 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.876 -179.841 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 91.37 157.09 33.38 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.532 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.7 p-10 -117.89 117.13 28.43 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.875 0.369 . . . . 0.0 110.896 -179.889 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -63.29 -175.72 3.26 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.712 -0.756 . . . . 0.0 112.486 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 131.92 76.48 0.13 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.47 -179.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 17.0 pt -56.36 140.96 71.7 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.602 0.715 . . . . 0.0 111.158 -179.989 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.83 91.29 0.52 Allowed 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.691 2.261 . . . . 0.0 112.351 179.883 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 58.8 m-70 -40.21 108.21 0.08 Allowed 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.874 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 1.3 p30 -47.8 139.69 7.26 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.844 -179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 31.1 m-80 -97.09 -45.83 6.4 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.864 -179.893 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.3 mm? -58.46 150.24 23.04 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.93 179.982 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.465 HG13 ' HG3' ' A' ' 59' ' ' PRO . 70.9 t -85.2 117.36 30.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.149 179.854 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 8.6 tp -97.52 121.17 39.11 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.925 179.97 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 34.9 mm -88.57 138.04 19.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.081 179.87 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.467 ' HB2' ' CZ ' ' A' ' 20' ' ' ARG . 24.1 mtm105 -137.5 122.92 19.54 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.943 179.915 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -160.11 172.93 16.58 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.884 179.974 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 18.6 pttp -122.94 152.71 63.34 Favored Pre-proline 0 C--N 1.329 -0.298 0 CA-C-O 121.523 0.677 . . . . 0.0 110.904 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.73 124.02 10.68 Favored 'Trans proline' 0 C--O 1.231 0.144 0 C-N-CA 122.714 2.276 . . . . 0.0 112.335 179.885 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 2.8 t70 -47.97 170.69 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.85 179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 15.2 mm-40 -50.53 -42.25 54.84 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.899 -179.898 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 3.9 m120 -84.47 20.31 1.72 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.892 -179.96 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 44.04 57.44 4.81 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.76 -0.733 . . . . 0.0 112.471 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 50.7 mtt-85 -147.51 128.53 14.55 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.819 0.342 . . . . 0.0 110.866 -179.827 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.437 ' CE1' HD22 ' A' ' 98' ' ' LEU . 97.6 m-85 -81.55 -176.98 6.33 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.936 -179.983 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -142.41 74.55 0.34 Allowed Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.749 -0.739 . . . . 0.0 112.485 -179.938 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 49.7 p90 -162.8 127.79 3.16 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.895 0.379 . . . . 0.0 110.929 -179.871 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.468 ' O ' ' N ' ' A' ' 46' ' ' SER . 7.9 m120 -96.63 133.91 40.53 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.868 -179.87 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.4 m -115.91 163.96 12.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.129 179.949 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 10.8 pttp -143.48 149.77 38.03 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.878 179.901 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 99.42 178.14 31.32 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.532 179.947 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 152.22 166.44 14.16 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.485 -179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 36.1 t80 -45.72 -33.56 3.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 120.948 0.404 . . . . 0.0 110.963 -179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -54.48 -45.11 73.14 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.075 -0.512 . . . . 0.0 110.841 179.914 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.434 ' O ' ' C ' ' A' ' 40' ' ' LYS . 10.3 mm-40 -104.43 27.98 7.36 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.892 -179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.434 ' C ' ' O ' ' A' ' 39' ' ' GLN . 0.6 OUTLIER 35.37 43.16 0.13 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.879 179.947 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.0 ptm -134.98 152.72 77.76 Favored Pre-proline 0 C--N 1.329 -0.291 0 CA-C-O 121.543 0.687 . . . . 0.0 110.886 179.874 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.58 ' HG2' HD11 ' A' ' 44' ' ' ILE . 53.6 Cg_endo -69.75 152.3 69.33 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.644 2.229 . . . . 0.0 112.311 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.438 ' C ' HD12 ' A' ' 44' ' ' ILE . 25.1 t -85.23 112.12 21.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.14 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.58 HD11 ' HG2' ' A' ' 42' ' ' PRO . 3.9 mp -122.04 136.74 57.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.129 179.889 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.694 HG23 ' OD1' ' A' ' 65' ' ' ASP . 18.6 t -57.9 110.78 0.42 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.112 179.874 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.468 ' N ' ' O ' ' A' ' 32' ' ' ASN . 5.9 t -63.86 -69.97 0.25 Allowed 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.905 -179.865 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 5.4 tpt180 -130.15 158.5 39.52 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.876 -179.991 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 60.0 t -127.72 118.1 48.17 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.114 -179.993 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.15 145.94 53.82 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.589 0.709 . . . . 0.0 111.076 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.74 161.03 47.51 Favored 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.703 2.269 . . . . 0.0 112.346 179.981 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 62.04 38.73 96.57 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.751 . . . . 0.0 112.508 179.999 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 80.4 p -122.06 152.4 59.92 Favored Pre-proline 0 C--N 1.33 -0.275 0 CA-C-O 121.59 0.709 . . . . 0.0 111.13 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.73 2.95 3.05 Favored 'Trans proline' 0 C--N 1.342 0.185 0 C-N-CA 122.677 2.251 . . . . 0.0 112.334 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -100.67 -18.42 16.54 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.45 ' OD1' ' CG ' ' A' ' 60' ' ' ARG . 3.9 t70 -101.08 -63.84 1.1 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.85 179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 17.5 mt -45.38 -32.73 2.21 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.932 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.9 p -60.78 162.23 7.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.893 179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.439 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 85.2 t -124.86 124.39 25.51 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.655 0.74 . . . . 0.0 111.103 179.995 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.465 ' HG3' HG13 ' A' ' 17' ' ' VAL . 53.5 Cg_endo -69.79 168.01 69.11 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.69 -1.796 . . . . 0.0 112.357 -0.05 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.45 ' CG ' ' OD1' ' A' ' 55' ' ' ASP . 20.0 ttp180 -86.73 120.43 28.02 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.89 -179.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.43 HD21 HG21 ' A' ' 45' ' ' VAL . 11.0 tp -64.19 112.62 3.1 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.209 -0.451 . . . . 0.0 110.894 -179.939 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.402 ' CB ' HH21 ' A' ' 60' ' ' ARG . 4.6 p30 -117.51 167.61 11.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.865 179.918 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 34.1 mt-10 -61.15 133.28 55.82 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.902 -179.997 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 120.49 -32.12 4.97 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.46 -179.967 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.694 ' OD1' HG23 ' A' ' 45' ' ' VAL . 2.6 p30 -50.72 129.8 23.51 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 120.767 0.318 . . . . 0.0 110.832 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 31.5 tt0 -107.64 104.39 13.91 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 39.2 t -68.58 128.71 32.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.211 -0.449 . . . . 0.0 111.099 179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 34.5 t -112.68 -45.91 5.3 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.168 179.844 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 77.7 mt -139.64 131.12 27.01 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.958 179.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.833 HD12 HG21 ' A' ' 75' ' ' ILE . 92.1 mt -103.1 106.36 19.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.197 -0.456 . . . . 0.0 111.153 179.855 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.3 m-80 58.71 32.67 22.42 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.869 179.975 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 76.28 44.02 18.82 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.704 -0.76 . . . . 0.0 112.478 179.934 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 1.7 mmp_? -138.31 134.26 34.07 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.853 0.358 . . . . 0.0 110.876 -179.865 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 2.9 p30 -72.1 92.07 1.3 Allowed 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.881 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.833 HG21 HD12 ' A' ' 70' ' ' ILE . 2.3 pp -93.72 4.68 7.78 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.14 -179.978 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -70.75 -45.98 63.84 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.087 179.829 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.3 tp10 -63.83 -30.99 72.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.875 -179.926 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 26.1 m80 -70.94 143.29 50.95 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.189 -0.459 . . . . 0.0 110.817 -179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.401 ' O ' HG23 ' A' ' 83' ' ' VAL . 43.1 p -75.97 170.77 15.62 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.134 -179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 27.0 t60 -51.87 -54.56 27.82 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.878 179.925 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 23.3 m-20 -52.8 -46.87 67.86 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.877 179.979 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.417 ' O ' ' C ' ' A' ' 83' ' ' VAL . 11.5 mm100 -59.85 -61.84 2.32 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.949 -179.962 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.417 ' C ' ' O ' ' A' ' 82' ' ' GLN . 69.9 t -36.65 -65.66 0.06 OUTLIER 'Isoleucine or valine' 0 C--N 1.33 -0.278 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.142 179.97 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.411 ' C ' ' O ' ' A' ' 83' ' ' VAL . 95.8 t -36.19 -56.12 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.146 179.893 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.7 mp -62.26 -47.42 84.45 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.964 179.939 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 4.6 t80 -42.13 -47.46 4.6 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.889 179.935 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 21.2 mt -56.81 -51.6 65.3 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.109 179.968 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 68.6 mttt -45.71 -42.76 12.13 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.913 179.853 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -42.64 -55.63 3.47 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.245 -0.434 . . . . 0.0 111.111 179.801 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 1.8 m -45.2 -47.68 12.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.849 -179.739 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 41.8 t -53.31 -52.64 58.47 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.851 -179.942 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 22.3 tp10 -38.64 -60.65 0.8 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.9 -179.907 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 81.4 mtp180 -52.93 -55.18 25.3 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.881 -179.914 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 2.3 t-160 59.43 41.28 19.66 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.9 -179.985 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 5.7 m -93.22 -48.14 6.6 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.851 -179.754 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -128.98 -155.23 8.5 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.54 179.966 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 33.1 mt-10 -98.59 174.35 6.47 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-O 120.864 0.364 . . . . 0.0 110.91 -179.867 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.449 HD21 HD21 ' A' ' 100' ' ' LEU . 2.5 tp -93.63 146.62 23.69 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.929 -180.0 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 6.3 mtt -136.6 107.91 6.85 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.87 179.813 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.449 HD21 HD21 ' A' ' 98' ' ' LEU . 5.5 mt -112.96 113.81 26.02 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.187 -0.46 . . . . 0.0 110.886 -179.959 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 23.9 tp -83.12 101.64 11.3 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.919 179.879 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 33.2 m -106.77 157.28 7.06 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.14 179.842 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 57.1 ttt-85 -99.71 129.58 28.47 Favored Pre-proline 0 C--N 1.328 -0.339 0 CA-C-O 121.61 0.719 . . . . 0.0 110.873 -179.973 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.75 131.26 20.86 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.69 2.26 . . . . 0.0 112.393 -179.99 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . 0.815 ' O ' HG23 ' A' ' 107' ' ' VAL . 60.6 t30 -114.7 85.86 2.33 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.862 -179.958 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . 0.425 ' C ' ' O ' ' A' ' 105' ' ' ASN . . . -35.69 121.45 0.62 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.109 179.885 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.815 HG23 ' O ' ' A' ' 105' ' ' ASN . 94.9 t -126.3 111.73 27.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.123 -179.967 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.2 p90 -107.89 149.55 28.16 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 -179.92 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 41.4 m-20 -165.3 177.41 7.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.834 179.921 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 92.0 t -129.55 143.89 39.75 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.158 179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 74.9 t -101.38 137.45 28.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.172 179.891 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 24.8 mt-10 -114.56 107.62 15.75 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.884 179.998 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 20.6 tp10 -174.6 113.14 0.16 Allowed 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.903 -179.954 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 74.6 m -104.54 113.76 27.55 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.811 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -130.75 169.7 21.39 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.683 -0.77 . . . . 0.0 112.477 -179.983 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.77 139.89 41.3 Favored 'Trans proline' 0 C--N 1.341 0.155 0 C-N-CA 122.661 2.241 . . . . 0.0 112.333 -179.931 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 33.3 t -77.98 -52.14 9.27 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.889 -179.864 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 2.7 m -84.63 138.47 32.67 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.88 -179.847 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.323 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.467 179.969 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.328 0 N-CA-C 112.498 -0.241 . . . . 0.0 112.498 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 8.0 t 68.2 42.43 1.73 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-O 120.911 0.386 . . . . 0.0 110.849 -179.773 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 23.8 m -89.53 82.18 6.43 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.861 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -147.7 161.72 28.58 Favored Glycine 0 N--CA 1.451 -0.351 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.505 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 24.9 p -119.76 140.41 50.78 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.83 0.348 . . . . 0.0 110.85 -179.708 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 89.1 p -145.25 153.32 41.18 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.828 -179.805 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -167.53 164.89 38.27 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.705 -0.76 . . . . 0.0 112.48 -179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.3 p-10 -146.48 163.83 34.44 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.872 0.367 . . . . 0.0 110.889 -179.848 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 176.81 173.25 42.22 Favored Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.463 179.946 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 123.87 55.27 0.19 Allowed Glycine 0 N--CA 1.452 -0.262 0 C-N-CA 120.743 -0.741 . . . . 0.0 112.471 -179.918 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 46.7 mm -91.56 129.88 41.21 Favored Pre-proline 0 C--N 1.328 -0.344 0 CA-C-O 121.597 0.713 . . . . 0.0 111.153 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.83 149.51 66.54 Favored 'Trans proline' 0 C--O 1.232 0.219 0 C-N-CA 122.679 2.252 . . . . 0.0 112.323 179.937 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 56.0 t-80 -47.71 98.49 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.853 179.967 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . 0.469 ' HB3' HD23 ' A' ' 16' ' ' LEU . 6.8 m-20 -158.17 174.74 14.72 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.844 179.99 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 19.6 m-80 -122.26 44.86 2.49 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.898 -179.935 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.469 HD23 ' HB3' ' A' ' 14' ' ' ASP . 4.2 mm? -80.99 153.17 27.6 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.899 179.975 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 77.5 t -99.34 145.69 9.95 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.114 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.471 HD12 ' O ' ' A' ' 100' ' ' LEU . 4.5 tp -125.99 131.58 52.2 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.92 179.936 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 11.3 mm -99.15 109.89 25.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.166 -0.47 . . . . 0.0 111.151 179.815 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 20.3 ttp180 -102.79 122.54 44.7 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.867 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 2.8 ptt? -155.64 175.77 13.47 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.901 179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 6.1 ptpp? -130.6 151.38 78.61 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.589 0.709 . . . . 0.0 110.915 179.965 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.75 161.78 44.61 Favored 'Trans proline' 0 C--N 1.342 0.193 0 C-N-CA 122.695 2.263 . . . . 0.0 112.338 179.931 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -87.2 -177.61 6.03 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.903 179.885 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 3.6 pt-20 -62.75 -8.13 6.21 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.229 -0.441 . . . . 0.0 110.943 -179.95 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 89.1 m-20 -120.05 23.4 11.02 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.83 -179.902 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 47.66 49.01 22.55 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.781 -0.724 . . . . 0.0 112.479 179.998 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.8 ptm180 -130.34 155.6 46.07 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.895 0.379 . . . . 0.0 110.828 -179.865 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.526 ' CE2' HD22 ' A' ' 98' ' ' LEU . 96.6 m-85 -114.74 179.17 4.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.906 -179.923 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -123.38 58.63 0.62 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.486 -179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 7.3 p90 -166.31 133.3 2.61 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.858 0.361 . . . . 0.0 110.884 -179.887 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 3.1 m120 -104.28 167.7 9.58 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.909 -179.954 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 33.9 m -141.51 157.06 21.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.153 179.899 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 12.7 pttp -147.06 158.29 43.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.879 179.908 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 98.99 -151.89 19.56 Favored Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.479 179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.61 169.58 15.77 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.471 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 5.5 t80 -43.76 -27.66 0.35 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.844 0.354 . . . . 0.0 110.897 -179.796 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 9.6 m-20 -54.52 -44.39 72.74 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.852 179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.426 ' O ' ' N ' ' A' ' 41' ' ' MET . 40.1 mm-40 -114.39 28.33 8.82 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.942 -179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' GLN . 31.8 mttt 37.86 31.21 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.892 179.982 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.426 ' N ' ' O ' ' A' ' 39' ' ' GLN . 15.4 ptm -117.8 152.17 49.61 Favored Pre-proline 0 C--N 1.33 -0.279 0 CA-C-O 121.576 0.703 . . . . 0.0 110.89 179.828 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 54.2 Cg_endo -69.71 147.64 63.61 Favored 'Trans proline' 0 C--O 1.231 0.161 0 C-N-CA 122.694 2.263 . . . . 0.0 112.354 179.983 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.466 HG21 HD13 ' A' ' 75' ' ' ILE . 58.2 t -72.34 101.53 1.19 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.244 -0.435 . . . . 0.0 111.12 179.926 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 16.8 mm -110.26 138.05 39.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.109 179.934 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 94.1 t -50.23 134.31 9.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.124 -0.489 . . . . 0.0 111.118 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 11.7 t -88.87 -60.49 1.94 Allowed 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.885 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.441 ' HG3' ' N ' ' A' ' 48' ' ' VAL . 15.2 tpp180 -146.18 152.61 39.51 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.826 -179.938 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.441 ' N ' ' HG3' ' A' ' 47' ' ' ARG . 25.0 t -138.36 125.19 26.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.137 -0.483 . . . . 0.0 111.169 179.949 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -94.87 152.57 39.76 Favored Pre-proline 0 C--N 1.329 -0.283 0 CA-C-O 121.576 0.703 . . . . 0.0 111.156 179.851 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.401 ' O ' HG23 ' A' ' 52' ' ' THR . 53.5 Cg_endo -69.74 173.38 11.04 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.706 2.271 . . . . 0.0 112.303 -179.939 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 45.91 42.31 11.41 Favored Glycine 0 N--CA 1.452 -0.292 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.443 179.941 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.401 HG23 ' O ' ' A' ' 50' ' ' PRO . 16.6 p -117.48 154.95 50.68 Favored Pre-proline 0 C--N 1.329 -0.294 0 CA-C-O 121.539 0.685 . . . . 0.0 111.147 -179.859 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.76 -0.62 7.17 Favored 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.626 2.217 . . . . 0.0 112.371 179.947 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -107.32 -27.12 10.68 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.092 179.88 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 4.2 t70 -91.19 -53.0 4.54 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.849 179.978 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 9.9 mt -52.36 -38.26 58.32 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.917 -179.936 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 16.4 p -62.08 158.6 16.26 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.839 179.952 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.575 HG13 ' HA ' ' A' ' 59' ' ' PRO . 94.9 t -120.31 135.33 24.41 Favored Pre-proline 0 C--N 1.33 -0.273 0 CA-C-O 121.586 0.707 . . . . 0.0 111.183 179.965 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.575 ' HA ' HG13 ' A' ' 58' ' ' VAL . 53.4 Cg_endo -69.79 143.52 74.15 Favored 'Cis proline' 0 C--N 1.341 0.172 0 C-N-CA 122.666 -1.806 . . . . 0.0 112.308 0.001 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.5 ttt180 -59.07 121.85 12.31 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.905 179.993 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 29.0 tp -72.18 104.77 3.75 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.903 -179.958 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.7 p-10 -115.04 166.59 11.64 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.879 179.91 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 47.4 mt-10 -56.43 148.62 18.71 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.905 -179.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 104.24 -41.54 2.12 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.72 -0.753 . . . . 0.0 112.445 -179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 53.8 m-20 -42.75 117.24 1.0 Allowed 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.75 0.31 . . . . 0.0 110.861 -179.974 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 15.8 tt0 -91.79 108.2 19.75 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.876 -179.9 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 74.0 t -64.3 105.67 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.196 -0.457 . . . . 0.0 111.089 179.969 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 56.3 t -76.74 -46.6 30.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.129 179.912 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.458 ' CD2' ' HA ' ' A' ' 74' ' ' ASP . 78.2 mt -153.48 139.29 18.03 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.905 179.934 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.732 HD12 HG21 ' A' ' 75' ' ' ILE . 50.0 mt -107.79 123.51 63.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.143 -0.481 . . . . 0.0 111.149 179.844 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 69.4 m-20 53.56 33.1 15.55 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.848 179.891 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.58 33.56 87.55 Favored Glycine 0 N--CA 1.451 -0.325 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.498 179.97 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.514 ' O ' HG23 ' A' ' 75' ' ' ILE . 47.3 mtp180 -130.55 132.92 45.82 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 120.784 0.326 . . . . 0.0 110.917 -179.89 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.458 ' HA ' ' CD2' ' A' ' 69' ' ' LEU . 9.6 p-10 -57.4 115.12 2.52 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.856 -179.967 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.732 HG21 HD12 ' A' ' 70' ' ' ILE . 2.5 pp -117.1 -14.86 9.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.336 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.133 179.996 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.16 -12.09 61.29 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.103 179.813 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 34.2 mm-40 -102.94 -5.18 23.75 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.858 -179.893 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 8.6 m170 -99.39 163.25 12.6 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.849 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 1.7 p -82.22 159.36 23.25 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.099 -179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 7.7 t60 -43.76 -60.36 1.83 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.88 179.901 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 4.9 m-20 -47.62 -53.27 15.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.885 179.977 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 36.1 mt-30 -49.84 -44.37 49.45 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.887 -179.905 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 75.5 t -64.23 -46.94 91.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.146 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 89.9 t -60.43 -43.69 94.62 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.164 179.867 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -68.63 -36.56 78.8 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.918 179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.488 ' CE1' ' HD3' ' A' ' 73' ' ' ARG . 86.3 t80 -60.45 -58.28 9.16 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.873 179.899 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 71.0 mt -48.7 -36.03 7.18 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.156 -179.999 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 23.3 mmtt -67.17 -41.3 86.17 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.862 179.839 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -38.85 -37.88 0.38 Allowed 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.086 179.868 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 5.5 t -46.11 -51.18 14.39 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.874 -179.787 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 71.0 m -55.74 -44.79 77.92 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.884 -179.988 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.5 tp10 -65.17 -68.53 0.35 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.882 -179.869 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.0 ptt180 -56.67 174.86 0.13 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.086 -0.506 . . . . 0.0 110.86 -179.89 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.429 ' O ' ' CG ' ' A' ' 94' ' ' HIS . 4.1 t-80 -92.25 86.58 5.78 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.873 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 7.9 t -119.05 147.86 43.66 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.856 -179.758 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -87.39 -51.56 3.27 Favored Glycine 0 N--CA 1.452 -0.253 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.472 -179.995 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 41.1 mt-10 -144.83 163.79 33.02 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.865 0.364 . . . . 0.0 110.893 -179.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.526 HD22 ' CE2' ' A' ' 29' ' ' PHE . 14.0 tp -86.21 132.51 33.99 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.923 -179.931 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 4.0 mtt -116.71 108.88 16.45 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.848 179.871 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.471 ' O ' HD12 ' A' ' 18' ' ' LEU . 8.5 mt -115.75 141.27 48.32 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.865 -179.992 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 16.9 tp -113.54 101.49 9.39 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.938 179.855 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 21.9 m -106.6 156.29 7.18 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.105 179.874 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 31.8 ttt180 -91.07 135.38 28.57 Favored Pre-proline 0 C--N 1.329 -0.29 0 CA-C-O 121.639 0.733 . . . . 0.0 110.865 -179.985 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 122.92 9.6 Favored 'Trans proline' 0 C--N 1.342 0.189 0 C-N-CA 122.67 2.247 . . . . 0.0 112.34 -179.987 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 14.0 m-80 -120.27 83.7 2.1 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.873 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -86.47 21.74 2.05 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.074 179.857 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . 0.482 ' O ' HG13 ' A' ' 107' ' ' VAL . 14.4 p -118.48 124.09 72.58 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.251 -0.432 . . . . 0.0 111.18 179.911 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 1.2 p90 -167.21 164.36 15.52 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.899 -179.933 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 12.0 t0 -101.77 135.55 43.12 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.083 -0.508 . . . . 0.0 110.849 179.959 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 87.3 t -75.57 140.58 17.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.173 179.99 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 14.5 p -102.21 145.35 12.04 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.145 179.911 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 74.0 mm-40 -136.1 132.69 36.43 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.839 -179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 23.8 mt-10 -155.47 105.93 2.5 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.897 179.997 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 97.0 p -113.88 146.37 40.12 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.85 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -160.08 83.28 0.13 Allowed Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.738 -0.744 . . . . 0.0 112.496 -179.98 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 134.65 28.62 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.729 2.286 . . . . 0.0 112.345 -179.957 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.8 t -140.93 -176.51 4.7 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.836 -179.825 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 1.9 m -163.21 175.12 11.29 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.832 -179.777 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.312 0 C-N-CA 120.772 -0.728 . . . . 0.0 112.485 -179.988 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.293 0 N-CA-C 112.468 -0.253 . . . . 0.0 112.468 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.7 m -127.51 172.63 10.54 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.858 0.361 . . . . 0.0 110.869 -179.739 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 1.8 t -171.8 163.49 6.38 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.853 -179.807 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -158.78 131.71 2.86 Favored Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.5 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 49.9 m -126.18 177.51 6.35 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.831 0.348 . . . . 0.0 110.886 -179.732 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 88.6 p -140.3 110.25 6.48 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.823 -179.812 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -97.47 49.8 1.46 Allowed Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.496 179.968 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 12.3 m120 -150.59 145.99 26.26 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.903 0.383 . . . . 0.0 110.867 -179.874 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -168.94 108.12 0.29 Allowed Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.451 179.988 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -97.79 108.71 3.68 Favored Glycine 0 N--CA 1.451 -0.327 0 C-N-CA 120.751 -0.738 . . . . 0.0 112.49 -179.932 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.57 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.2 OUTLIER -53.24 150.41 11.44 Favored Pre-proline 0 C--N 1.33 -0.282 0 CA-C-O 121.635 0.731 . . . . 0.0 111.118 -179.964 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 177.76 5.28 Favored 'Trans proline' 0 C--N 1.342 0.206 0 C-N-CA 122.657 2.238 . . . . 0.0 112.34 179.875 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 5.9 p80 -140.25 110.52 6.61 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.842 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.6 m-20 -141.57 145.23 34.83 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 116.234 -0.439 . . . . 0.0 110.838 -179.978 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 73.6 m-20 -90.3 -52.98 4.65 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.857 -179.881 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.477 ' N ' ' CD2' ' A' ' 16' ' ' LEU . 0.5 OUTLIER -65.32 144.84 56.85 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.907 180.0 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 95.3 t -87.42 140.75 15.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.125 179.873 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.5 tp -114.18 134.28 55.02 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.9 179.985 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 7.1 mm -106.81 113.61 43.77 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.352 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.169 179.825 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 18.3 mtm105 -111.48 126.05 54.55 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.883 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -155.84 173.15 17.18 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.898 179.987 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . 0.419 ' C ' ' HD3' ' A' ' 22' ' ' LYS . 0.0 OUTLIER -119.83 152.54 53.9 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.64 0.733 . . . . 0.0 110.881 179.921 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 135.07 29.45 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.651 2.234 . . . . 0.0 112.341 179.908 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 21.6 m-20 -51.98 175.44 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.844 179.912 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 12.1 pt-20 -52.25 -46.11 65.65 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.918 -179.929 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -78.87 -28.17 44.12 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.903 -179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 103.09 52.95 0.91 Allowed Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.477 179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 8.2 mtp-105 -144.52 141.01 29.21 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.907 0.384 . . . . 0.0 110.798 -179.838 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.9 m-85 -90.88 -177.14 4.87 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.895 -179.949 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.597 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -135.25 67.61 0.55 Allowed Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.762 -0.732 . . . . 0.0 112.515 -179.992 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 46.6 p90 -158.39 130.15 6.71 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.915 0.388 . . . . 0.0 110.85 -179.885 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 57.6 t30 -101.02 151.16 22.12 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.887 -179.96 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 28.7 m -131.59 154.23 40.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.196 179.871 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 29.0 pttt -137.48 140.69 41.35 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.89 179.917 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.401 ' HA2' ' CG ' ' A' ' 41' ' ' MET . . . 118.7 -172.1 14.39 Favored Glycine 0 N--CA 1.451 -0.3 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.506 179.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 140.76 166.25 10.62 Favored Glycine 0 N--CA 1.451 -0.36 0 C-N-CA 120.777 -0.725 . . . . 0.0 112.527 -179.869 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 19.0 t80 -48.93 -31.58 7.58 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.875 0.369 . . . . 0.0 110.905 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 54.1 t0 -62.52 -44.37 96.51 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.099 -0.5 . . . . 0.0 110.864 179.957 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' LYS . 13.9 mt-30 -97.59 18.56 15.22 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.929 -179.918 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.421 ' C ' ' O ' ' A' ' 39' ' ' GLN . 4.8 mmmm 36.01 36.98 0.04 OUTLIER 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.907 179.954 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.401 ' CG ' ' HA2' ' A' ' 35' ' ' GLY . 12.9 ptm -128.33 153.07 78.96 Favored Pre-proline 0 C--N 1.329 -0.324 0 CA-C-O 121.592 0.71 . . . . 0.0 110.89 179.907 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.74 156.86 62.3 Favored 'Trans proline' 0 C--N 1.341 0.166 0 C-N-CA 122.735 2.29 . . . . 0.0 112.382 179.95 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 22.0 t -89.71 115.74 29.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.259 -0.428 . . . . 0.0 111.103 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.1 mp -134.07 134.67 55.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.209 -0.451 . . . . 0.0 111.17 179.872 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.9 t -51.58 128.42 9.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.091 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 24.3 t -88.57 -52.12 5.33 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.824 -179.8 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 12.8 tpt180 -144.61 157.74 44.08 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.88 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.455 HG21 ' HA ' ' A' ' 62' ' ' ASN . 61.8 t -137.96 113.37 10.08 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.193 -0.458 . . . . 0.0 111.143 179.959 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -81.59 148.32 61.77 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.521 0.677 . . . . 0.0 111.113 179.907 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.81 176.19 7.14 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.682 2.255 . . . . 0.0 112.337 -179.954 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 55.01 32.44 56.52 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.483 -179.984 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.597 HG21 ' HA3' ' A' ' 30' ' ' GLY . 31.6 p -121.22 153.89 58.43 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.593 0.711 . . . . 0.0 111.16 -179.84 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.81 -0.81 7.49 Favored 'Trans proline' 0 C--N 1.341 0.154 0 C-N-CA 122.7 2.267 . . . . 0.0 112.314 179.983 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -96.12 -22.08 17.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.251 -0.431 . . . . 0.0 111.089 179.878 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.422 ' CG ' ' HG3' ' A' ' 60' ' ' ARG . 2.6 t70 -96.75 -64.95 1.0 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.835 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 16.4 mt -44.43 -42.01 6.68 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.903 -179.893 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 13.7 p -53.71 153.85 4.19 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.88 179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.476 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 97.8 t -115.94 124.71 29.43 Favored Pre-proline 0 C--N 1.329 -0.314 0 CA-C-O 121.609 0.719 . . . . 0.0 111.099 -179.967 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.476 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.9 Cg_endo -69.73 172.27 49.67 Favored 'Cis proline' 0 C--O 1.231 0.141 0 C-N-CA 122.73 -1.779 . . . . 0.0 112.299 -0.076 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.422 ' HG3' ' CG ' ' A' ' 55' ' ' ASP . 19.6 ttp180 -89.08 114.37 25.6 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.9 179.989 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 15.5 tp -60.03 127.37 31.53 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.919 -179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.455 ' HA ' HG21 ' A' ' 48' ' ' VAL . 5.2 p30 -141.3 169.22 18.01 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.851 179.943 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.418 ' CD ' ' H ' ' A' ' 63' ' ' GLU . 12.3 mp0 -56.15 147.2 21.04 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.859 -179.969 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.405 ' O ' ' N ' ' A' ' 66' ' ' GLN . . . 103.96 -43.76 1.61 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.465 -179.97 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 46.1 m-20 -51.27 91.94 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 120.742 0.306 . . . . 0.0 110.887 -179.972 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.405 ' N ' ' O ' ' A' ' 64' ' ' GLY . 36.8 tt0 -66.18 129.64 40.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.895 -179.901 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 13.5 t -85.19 107.84 16.45 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.222 -0.445 . . . . 0.0 111.128 179.961 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.549 HG12 ' HG ' ' A' ' 69' ' ' LEU . 57.0 t -85.65 -40.48 14.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.126 179.911 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.549 ' HG ' HG12 ' A' ' 68' ' ' VAL . 63.2 mt -153.96 137.56 16.0 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.939 179.982 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . . . . . . . . . 79.7 mt -104.73 116.55 48.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.115 179.862 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 10.6 m-20 62.87 29.18 16.59 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.911 179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 71.01 30.23 68.05 Favored Glycine 0 N--CA 1.451 -0.34 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.481 179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 11.8 mtt85 -129.69 150.67 50.91 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.812 0.339 . . . . 0.0 110.875 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 12.5 p-10 -77.46 126.94 31.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.879 179.936 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.4 pp -129.99 -5.76 2.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.118 -179.992 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -54.41 -44.22 72.16 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.143 179.771 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 4.0 tp10 -60.67 -28.51 68.66 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.851 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 3.2 m80 -71.33 152.51 43.15 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.834 -179.966 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 82.5 p -93.79 167.25 11.76 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.141 -179.956 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.789 ' O ' HG23 ' A' ' 84' ' ' VAL . 11.7 t60 -42.49 -55.24 3.54 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.891 179.892 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 55.9 m-20 -52.22 -52.88 49.75 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.872 179.99 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.438 ' O ' ' N ' ' A' ' 85' ' ' LEU . 34.2 mt-30 -58.33 -67.88 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.868 -179.884 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.699 ' O ' HD12 ' A' ' 87' ' ' ILE . 24.1 t -35.94 -46.86 0.21 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.181 -0.463 . . . . 0.0 111.162 179.968 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.789 HG23 ' O ' ' A' ' 80' ' ' HIS . 85.6 t -57.32 -45.87 85.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.118 179.895 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.438 ' N ' ' O ' ' A' ' 82' ' ' GLN . 12.9 mt -69.75 -27.1 64.67 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.924 -179.999 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 23.4 t80 -57.04 -57.94 10.36 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.856 179.953 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.708 ' H ' HD12 ' A' ' 87' ' ' ILE . 5.0 mp -64.39 -49.41 80.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.155 179.996 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 16.9 ttmt -46.54 -44.18 17.63 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.898 179.864 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.38 -31.53 22.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.211 -0.45 . . . . 0.0 111.128 179.785 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 18.8 t -38.49 -34.18 0.13 Allowed 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.898 -179.819 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 3.5 t -53.96 -53.53 51.54 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.111 -0.495 . . . . 0.0 110.858 -179.946 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 14.1 tt0 -96.82 66.24 2.21 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.872 -179.863 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.428 ' NH1' ' HB3' ' A' ' 93' ' ' ARG . 5.5 mmm180 -140.11 134.68 31.63 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.856 -179.932 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 5.9 t-80 -39.42 -49.76 2.06 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.835 179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 15.1 m -73.06 174.39 7.98 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.835 -179.749 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -129.09 -65.61 0.11 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.694 -0.765 . . . . 0.0 112.499 179.986 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 36.2 tt0 -62.14 120.11 10.26 Favored 'General case' 0 C--N 1.33 -0.244 0 CA-C-O 120.859 0.361 . . . . 0.0 110.875 -179.896 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.742 HD21 ' CD2' ' A' ' 100' ' ' LEU . 1.4 tt -98.47 154.62 17.75 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.158 -0.473 . . . . 0.0 110.927 179.964 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.648 ' N ' HD23 ' A' ' 98' ' ' LEU . 3.8 mtp -129.19 149.1 51.14 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.804 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.742 ' CD2' HD21 ' A' ' 98' ' ' LEU . 22.6 mt -132.94 120.91 22.06 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.913 -179.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.6 tp -91.75 99.93 12.73 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.873 179.916 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 10.8 m -106.12 171.79 1.89 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.192 -0.458 . . . . 0.0 111.123 179.815 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.451 ' CD ' ' HD2' ' A' ' 104' ' ' PRO . 0.5 OUTLIER -108.25 137.43 19.89 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.619 0.723 . . . . 0.0 110.866 -179.932 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.451 ' HD2' ' CD ' ' A' ' 103' ' ' ARG . 53.9 Cg_endo -69.74 142.58 48.44 Favored 'Trans proline' 0 C--N 1.341 0.183 0 C-N-CA 122.654 2.236 . . . . 0.0 112.369 179.994 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 44.8 t30 -87.77 -56.67 3.24 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.904 -179.999 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -156.56 158.58 37.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.101 179.884 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 97.0 t -89.48 123.46 41.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.215 -0.448 . . . . 0.0 111.149 179.943 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 14.0 m-85 -145.86 154.68 42.25 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.913 -179.915 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.442 ' OD2' HG23 ' A' ' 111' ' ' VAL . 8.2 t70 -119.97 121.11 38.23 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.094 -0.503 . . . . 0.0 110.861 179.947 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 96.1 t -114.15 88.0 1.08 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.084 -179.967 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . 0.442 HG23 ' OD2' ' A' ' 109' ' ' ASP . 87.9 t -94.39 98.31 7.96 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.185 -0.462 . . . . 0.0 111.122 179.902 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.2 tp10 -109.67 152.87 25.04 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.877 -179.998 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 2.2 pm0 -132.26 88.48 2.55 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.894 -179.911 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 68.1 m -130.38 166.41 20.49 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.099 -0.501 . . . . 0.0 110.863 -179.822 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -168.33 136.29 4.02 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.478 -179.995 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 172.76 12.03 Favored 'Trans proline' 0 C--N 1.341 0.179 0 C-N-CA 122.714 2.276 . . . . 0.0 112.36 -179.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 29.7 m -151.56 144.96 24.8 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.857 -179.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 18.4 m -130.65 140.95 50.41 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.854 -179.81 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.331 0 C-N-CA 120.77 -0.728 . . . . 0.0 112.457 -179.945 . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.448 -0.261 . . . . 0.0 112.448 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 3.6 m -150.51 149.66 30.25 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.864 0.364 . . . . 0.0 110.871 -179.738 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 9.5 t -67.53 146.24 54.13 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.893 -179.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 178.18 81.63 0.06 OUTLIER Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.475 -179.943 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 14.8 m -142.41 141.47 32.25 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.873 0.368 . . . . 0.0 110.82 -179.712 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 90.1 p -105.91 118.63 37.11 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.858 -179.831 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -160.41 74.89 0.2 Allowed Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.497 -179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 13.4 t30 -140.35 136.09 32.81 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.868 0.366 . . . . 0.0 110.848 -179.854 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -141.27 101.06 0.28 Allowed Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.74 -0.743 . . . . 0.0 112.461 179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 140.18 134.05 3.06 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.49 -179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 3.9 mm -120.26 134.33 24.08 Favored Pre-proline 0 C--N 1.328 -0.338 0 CA-C-O 121.645 0.736 . . . . 0.0 111.124 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.79 134.9 29.05 Favored 'Trans proline' 0 C--O 1.232 0.187 0 C-N-CA 122.686 2.257 . . . . 0.0 112.325 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.1 m80 -69.61 104.83 2.48 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.873 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 5.1 m-20 -80.78 45.95 0.84 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.817 -179.953 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 16.7 p-10 -67.37 -43.78 80.57 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.865 -179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 9.8 mt -69.97 151.44 45.59 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.909 179.966 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 81.5 t -95.97 128.99 46.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.305 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.096 179.821 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.859 HD21 ' HE ' ' A' ' 20' ' ' ARG . 17.3 tp -107.13 138.68 42.84 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.9 179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.423 HD13 ' HG2' ' A' ' 59' ' ' PRO . 15.9 mm -109.5 116.29 51.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.304 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.116 179.852 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.859 ' HE ' HD21 ' A' ' 18' ' ' LEU . 40.0 mtt180 -120.25 115.6 23.92 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.9 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -144.89 171.35 14.55 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.866 179.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 13.2 mtmm -122.77 152.91 63.09 Favored Pre-proline 0 C--N 1.329 -0.305 0 CA-C-O 121.592 0.71 . . . . 0.0 110.895 179.985 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.71 122.51 9.2 Favored 'Trans proline' 0 C--N 1.342 0.197 0 C-N-CA 122.727 2.285 . . . . 0.0 112.362 179.907 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 6.6 t0 -55.85 -177.84 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.238 -0.437 . . . . 0.0 110.833 179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -55.92 -37.25 68.67 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.882 -179.928 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . 0.44 ' O ' ' C ' ' A' ' 27' ' ' GLY . 3.9 m-20 -85.46 27.84 0.79 Allowed 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.867 -179.946 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . 0.44 ' C ' ' O ' ' A' ' 26' ' ' ASN . . . 34.79 51.0 0.79 Allowed Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.741 -0.743 . . . . 0.0 112.482 179.942 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 0.9 OUTLIER -150.1 144.93 26.05 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.88 0.371 . . . . 0.0 110.898 -179.828 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 53.1 m-85 -96.62 164.56 12.54 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.86 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -110.66 68.72 0.22 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.709 -0.757 . . . . 0.0 112.459 -179.938 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.57 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 9.0 p90 -166.1 121.86 1.27 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.85 0.357 . . . . 0.0 110.932 -179.908 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 22.0 t-20 -101.18 158.73 15.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.912 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . 0.438 ' HB ' ' CG1' ' A' ' 43' ' ' VAL . 32.2 m -127.25 168.08 20.97 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.151 -0.477 . . . . 0.0 111.152 179.935 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.403 ' NZ ' ' O ' ' A' ' 45' ' ' VAL . 22.4 pttm -145.39 148.76 33.7 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.205 -0.452 . . . . 0.0 110.866 179.945 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 101.04 -152.48 19.0 Favored Glycine 0 N--CA 1.451 -0.321 0 C-N-CA 120.79 -0.719 . . . . 0.0 112.478 179.927 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 126.28 161.82 11.05 Favored Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.513 -179.893 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 43.0 t80 -45.63 -26.23 0.58 Allowed 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 120.852 0.358 . . . . 0.0 110.916 -179.798 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.8 p-10 -62.21 -40.27 95.54 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.89 179.931 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.421 ' O ' ' C ' ' A' ' 40' ' ' LYS . 6.8 mt-30 -106.49 28.0 8.23 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.893 -179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.464 ' HD2' ' N ' ' A' ' 40' ' ' LYS . 2.1 mptt 36.43 42.9 0.21 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.231 -0.441 . . . . 0.0 110.892 179.919 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 17.7 ptm -138.08 152.75 72.51 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.538 0.685 . . . . 0.0 110.885 179.896 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.653 ' HG2' HD11 ' A' ' 44' ' ' ILE . 53.2 Cg_endo -69.81 154.32 67.68 Favored 'Trans proline' 0 C--O 1.231 0.173 0 C-N-CA 122.744 2.296 . . . . 0.0 112.329 -179.978 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.438 ' CG1' ' HB ' ' A' ' 33' ' ' VAL . 21.2 t -84.9 113.32 23.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.164 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.653 HD11 ' HG2' ' A' ' 42' ' ' PRO . 5.4 mp -125.95 144.05 37.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.121 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.403 ' O ' ' NZ ' ' A' ' 34' ' ' LYS . 97.5 t -54.53 141.89 9.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.217 -0.447 . . . . 0.0 111.096 179.847 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.5 p -103.88 -53.81 2.69 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.854 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.6 tpt180 -141.66 153.86 44.98 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.892 -179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.456 HG21 ' HA ' ' A' ' 62' ' ' ASN . 61.7 t -139.75 106.9 2.68 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.191 179.952 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -77.45 147.91 76.27 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.608 0.718 . . . . 0.0 111.083 179.93 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 171.54 14.31 Favored 'Trans proline' 0 C--N 1.341 0.167 0 C-N-CA 122.695 2.263 . . . . 0.0 112.34 -179.97 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 54.94 33.69 57.06 Favored Glycine 0 N--CA 1.451 -0.352 0 C-N-CA 120.788 -0.72 . . . . 0.0 112.485 -179.991 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . . . . . . . . . 34.8 p -118.98 153.73 52.87 Favored Pre-proline 0 C--N 1.33 -0.27 0 CA-C-O 121.572 0.701 . . . . 0.0 111.143 -179.859 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.71 2.85 3.14 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.687 2.258 . . . . 0.0 112.363 179.94 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -100.4 -19.02 16.46 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.134 179.878 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . 0.443 ' OD1' ' CG ' ' A' ' 60' ' ' ARG . 3.6 t70 -102.13 -63.15 1.18 Allowed 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.848 -179.995 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 41.4 mt -46.36 -31.44 2.6 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.902 -179.941 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 31.6 p -58.96 162.15 4.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.153 -0.476 . . . . 0.0 110.888 179.913 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.45 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 24.2 t -123.47 121.57 26.79 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.649 0.738 . . . . 0.0 111.123 -179.963 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.45 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.72 174.56 39.95 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.671 -1.804 . . . . 0.0 112.332 -0.057 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . 0.443 ' CG ' ' OD1' ' A' ' 55' ' ' ASP . 20.5 ttp180 -90.39 120.82 31.84 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.236 -0.438 . . . . 0.0 110.847 -179.999 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.506 HD23 ' CB ' ' A' ' 31' ' ' PHE . 15.6 tp -69.19 127.14 32.04 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.896 179.994 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.529 ' CG ' ' N ' ' A' ' 63' ' ' GLU . 1.0 OUTLIER -141.36 169.73 17.05 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.868 179.91 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.529 ' N ' ' CG ' ' A' ' 62' ' ' ASN . 27.9 mt-10 -58.56 152.8 17.52 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 98.53 -41.48 2.23 Favored Glycine 0 N--CA 1.45 -0.379 0 C-N-CA 120.789 -0.719 . . . . 0.0 112.505 -179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 79.7 m-20 -52.85 114.62 1.48 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.743 0.306 . . . . 0.0 110.883 -179.996 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 3.3 tm0? -90.04 126.81 35.9 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.877 -179.877 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 60.9 t -84.62 122.35 37.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.133 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.596 HG12 ' HG ' ' A' ' 69' ' ' LEU . 40.7 t -90.52 -52.07 10.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.184 179.89 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.596 ' HG ' HG12 ' A' ' 68' ' ' VAL . 9.8 mt -142.15 157.36 44.97 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.135 -0.484 . . . . 0.0 110.924 179.933 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.852 HD12 HG21 ' A' ' 75' ' ' ILE . 74.8 mt -127.73 123.58 61.43 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.224 -0.443 . . . . 0.0 111.105 179.858 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 1.3 m-80 59.93 27.1 16.42 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.909 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.89 -15.58 36.74 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.776 -0.726 . . . . 0.0 112.455 179.95 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 52.3 mtt85 -91.99 144.18 25.72 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.861 0.362 . . . . 0.0 110.842 -179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.7 p30 -73.82 122.3 22.24 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.84 179.998 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.852 HG21 HD12 ' A' ' 70' ' ' ILE . 2.5 pp -104.54 -31.86 2.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.121 179.985 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.558 ' N ' HD12 ' A' ' 75' ' ' ILE . . . -48.07 -27.93 2.58 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.088 179.85 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 8.0 tm-20 -76.51 -31.39 57.65 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.88 -179.923 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.412 ' HB3' ' CB ' ' A' ' 82' ' ' GLN . 9.9 m80 -80.28 147.87 30.99 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.9 179.964 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 38.7 p -75.88 161.69 28.76 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.236 -0.438 . . . . 0.0 111.152 -179.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 28.0 t60 -40.19 -57.3 1.74 Allowed 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.845 179.984 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 7.9 m-20 -46.01 -48.41 16.71 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.992 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.412 ' CB ' ' HB3' ' A' ' 78' ' ' HIS . 0.6 OUTLIER -65.26 -55.02 20.77 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.187 -0.461 . . . . 0.0 110.96 -179.942 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 86.5 t -50.08 -61.59 0.6 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.106 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 98.5 t -44.53 -59.54 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.101 179.945 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 12.1 mt -57.5 -35.38 70.16 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.2 -0.455 . . . . 0.0 110.898 179.977 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 15.8 t80 -57.2 -46.31 82.98 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.856 179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 19.1 mt -58.78 -59.16 4.09 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.113 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . 0.437 ' O ' ' C ' ' A' ' 89' ' ' ALA . 54.2 mttm -51.54 -52.79 44.15 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.878 179.869 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.437 ' C ' ' O ' ' A' ' 88' ' ' LYS . . . -34.62 -53.32 0.53 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.224 -0.444 . . . . 0.0 111.061 179.867 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.425 ' C ' ' O ' ' A' ' 89' ' ' ALA . 5.2 t -36.51 -51.44 0.83 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.881 -179.774 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 23.1 t -49.84 -53.91 22.63 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.097 -0.501 . . . . 0.0 110.858 -179.929 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 11.5 tt0 -90.11 46.46 1.35 Allowed 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.87 -179.864 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.433 ' HG2' ' N ' ' A' ' 94' ' ' HIS . 46.2 ttt-85 -137.26 153.31 50.37 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.158 -0.474 . . . . 0.0 110.932 -179.962 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.433 ' N ' ' HG2' ' A' ' 93' ' ' ARG . 3.4 t-160 -46.72 169.64 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.864 179.977 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 94' ' ' HIS . 74.2 p -35.54 119.81 0.54 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.843 -179.792 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 175.53 88.6 0.07 OUTLIER Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.492 179.967 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -52.13 168.2 0.1 Allowed 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 120.88 0.371 . . . . 0.0 110.927 -179.903 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.75 111.64 20.91 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.975 179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.682 ' HG3' HD11 ' A' ' 18' ' ' LEU . 0.3 OUTLIER -111.77 140.61 46.26 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.901 179.866 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.43 ' HG ' ' C ' ' A' ' 99' ' ' MET . 4.8 mt -147.52 115.63 6.53 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.24 -0.436 . . . . 0.0 110.896 -179.982 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 20.5 tp -90.49 104.97 17.49 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.931 179.846 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 18.0 m -107.53 149.76 10.66 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.142 -0.481 . . . . 0.0 111.106 179.857 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 53.6 mtp180 -91.36 134.9 28.82 Favored Pre-proline 0 C--N 1.329 -0.292 0 CA-C-O 121.584 0.707 . . . . 0.0 110.875 179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.75 141.99 46.76 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.676 2.251 . . . . 0.0 112.389 179.957 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 46.8 t-20 -115.54 84.84 2.17 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.245 -0.434 . . . . 0.0 110.929 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -96.03 96.32 8.79 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.861 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 29.3 m -65.32 159.18 4.19 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.244 -0.434 . . . . 0.0 111.101 179.999 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 25.4 m-85 -90.54 50.52 1.84 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.137 -0.483 . . . . 0.0 110.926 -179.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 73.9 m-20 -134.02 154.55 51.06 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.843 179.954 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 89.1 t -81.74 143.64 11.83 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.083 -179.994 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 91.3 t -120.46 108.93 24.17 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.26 0 CA-C-N 116.13 -0.486 . . . . 0.0 111.132 179.914 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 1.4 tm-20 -112.1 117.74 33.46 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.883 -179.987 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.0 tm-20 -170.45 107.18 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.945 -179.909 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 92.8 p -106.21 152.99 22.77 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.838 -179.774 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -164.75 78.9 0.13 Allowed Glycine 0 N--CA 1.452 -0.273 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 179.98 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.76 134.58 28.34 Favored 'Trans proline' 0 C--N 1.342 0.204 0 C-N-CA 122.689 2.259 . . . . 0.0 112.362 -179.969 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . 0.431 ' O ' ' C ' ' A' ' 118' ' ' SER . 47.0 p -40.02 106.85 0.06 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.836 -179.871 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . 0.431 ' C ' ' O ' ' A' ' 117' ' ' SER . 43.2 m -36.19 140.91 0.11 Allowed 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.9 -179.842 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.341 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.516 179.998 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.256 0 N-CA-C 112.466 -0.253 . . . . 0.0 112.466 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 4.0 t -104.6 84.22 2.14 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 120.864 0.364 . . . . 0.0 110.861 -179.706 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 28.3 p -94.18 -47.9 6.44 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.861 -179.83 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -155.12 114.89 0.63 Allowed Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.501 -179.966 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.5 p -127.4 138.47 53.0 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.869 0.366 . . . . 0.0 110.855 -179.762 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 30.0 m -126.69 153.37 45.53 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.874 -179.831 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -178.16 83.54 0.07 OUTLIER Glycine 0 N--CA 1.451 -0.329 0 C-N-CA 120.761 -0.733 . . . . 0.0 112.508 -179.99 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 1.2 m120 -145.57 154.75 42.51 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.852 0.358 . . . . 0.0 110.906 -179.894 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -177.41 58.49 0.1 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.463 179.993 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 40.98 73.31 0.2 Allowed Glycine 0 N--CA 1.452 -0.293 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.503 -179.914 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 0.6 OUTLIER -52.13 145.07 19.42 Favored Pre-proline 0 C--N 1.329 -0.309 0 CA-C-O 121.637 0.732 . . . . 0.0 111.092 -179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.78 144.62 54.48 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.653 2.235 . . . . 0.0 112.378 179.863 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.7 p-80 -95.71 25.19 4.76 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.246 -0.434 . . . . 0.0 110.827 179.992 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 64.5 m-20 -61.12 125.36 23.45 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.857 -179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.6 m120 -84.69 56.02 3.68 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.908 -179.91 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.625 HD21 ' HG3' ' A' ' 103' ' ' ARG . 15.9 mt -64.67 153.35 39.81 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.891 179.961 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 9.6 p -83.29 156.24 3.79 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.117 179.824 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.0 tp -125.1 123.55 39.95 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.913 179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . . . . . . . . . 3.9 mm -91.79 103.65 14.75 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 26.5 ttp85 -105.14 119.59 39.42 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.86 179.967 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 6.1 ptp -143.78 176.53 9.18 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.866 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 14.8 ptpt -129.03 145.68 57.59 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.603 0.716 . . . . 0.0 110.9 179.929 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.7 155.69 65.47 Favored 'Trans proline' 0 C--N 1.341 0.175 0 C-N-CA 122.692 2.262 . . . . 0.0 112.367 179.869 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . 0.448 ' OD1' ' N ' ' A' ' 28' ' ' ARG . 0.4 OUTLIER -87.42 179.68 6.53 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.847 179.946 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 14.9 tt0 -43.94 -61.83 1.32 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.892 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 6.0 t30 -66.43 -26.28 67.14 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.906 -179.958 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 100.89 1.19 55.07 Favored Glycine 0 N--CA 1.452 -0.287 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.479 179.968 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . 0.448 ' N ' ' OD1' ' A' ' 24' ' ' ASP . 9.5 ptm180 -82.87 140.47 32.86 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.824 0.345 . . . . 0.0 110.873 -179.846 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.9 m-85 -97.85 170.91 8.64 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.864 -179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.596 ' O ' HG13 ' A' ' 48' ' ' VAL . . . -116.38 64.19 0.34 Allowed Glycine 0 N--CA 1.451 -0.362 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.504 -179.977 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.477 ' CZ ' HD13 ' A' ' 87' ' ' ILE . 4.1 p90 -166.11 134.69 3.02 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.851 0.357 . . . . 0.0 110.839 -179.823 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 32.3 t30 -111.64 159.19 18.42 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.868 -179.957 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 0.9 OUTLIER -135.68 161.77 38.11 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.164 -0.471 . . . . 0.0 111.14 179.953 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 25.7 pttt -141.04 141.12 34.34 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.922 179.886 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 115.73 174.01 17.63 Favored Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.489 179.948 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 162.69 -170.48 38.25 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.708 -0.758 . . . . 0.0 112.466 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.413 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 2.7 t80 -73.87 -20.35 60.45 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-O 120.902 0.382 . . . . 0.0 110.923 -179.833 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . 0.417 ' C ' ' OD1' ' A' ' 38' ' ' ASP . 0.2 OUTLIER -74.3 -33.44 63.22 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.857 179.929 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.44 ' O ' ' C ' ' A' ' 40' ' ' LYS . 22.9 mm-40 -108.15 16.99 22.8 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.917 -179.916 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.44 ' C ' ' O ' ' A' ' 39' ' ' GLN . 9.1 mptt 35.22 50.36 0.51 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.912 179.945 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 15.9 ptm -138.86 152.66 70.85 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.552 0.691 . . . . 0.0 110.885 179.847 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.568 ' O ' HD12 ' A' ' 44' ' ' ILE . 52.8 Cg_endo -69.81 149.77 66.99 Favored 'Trans proline' 0 C--N 1.342 0.19 0 C-N-CA 122.65 2.234 . . . . 0.0 112.286 -179.974 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.513 ' C ' HD12 ' A' ' 44' ' ' ILE . 40.8 t -84.33 116.71 28.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.085 179.931 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.568 HD12 ' O ' ' A' ' 42' ' ' PRO . 4.0 mp -128.5 146.81 33.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.327 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.086 179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.534 HG21 ' HG ' ' A' ' 61' ' ' LEU . 77.2 t -59.52 129.17 21.5 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.119 179.835 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 2.8 t -90.98 -60.94 1.78 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.899 -179.872 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 7.0 tpt180 -140.41 152.26 45.58 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.896 -179.964 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.596 HG13 ' O ' ' A' ' 30' ' ' GLY . 20.9 t -138.68 113.86 8.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.142 179.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.67 150.06 72.23 Favored Pre-proline 0 C--N 1.329 -0.289 0 CA-C-O 121.599 0.714 . . . . 0.0 111.097 179.881 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.7 174.59 9.23 Favored 'Trans proline' 0 C--N 1.342 0.186 0 C-N-CA 122.712 2.275 . . . . 0.0 112.364 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 49.26 46.14 35.02 Favored Glycine 0 N--CA 1.452 -0.248 0 C-N-CA 120.701 -0.762 . . . . 0.0 112.486 180.0 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.47 HG21 ' HA3' ' A' ' 30' ' ' GLY . 18.7 p -130.77 154.59 81.88 Favored Pre-proline 0 C--N 1.329 -0.307 0 CA-C-O 121.565 0.698 . . . . 0.0 111.168 -179.871 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 2.51 3.44 Favored 'Trans proline' 0 N--CA 1.465 -0.162 0 C-N-CA 122.722 2.281 . . . . 0.0 112.36 179.938 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . 0.454 ' HA ' ' HG ' ' A' ' 57' ' ' CYS . . . -109.99 -8.25 14.86 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.128 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.5 t70 -112.28 -22.95 10.65 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.894 179.969 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 14.4 mt -89.31 -35.89 15.86 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.879 -179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . 0.454 ' HG ' ' HA ' ' A' ' 54' ' ' ALA . 2.8 p -55.08 152.34 7.9 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.874 179.981 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.438 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 42.5 t -127.06 122.64 23.23 Favored Pre-proline 0 C--N 1.329 -0.293 0 CA-C-O 121.592 0.711 . . . . 0.0 111.169 -179.972 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.438 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 53.8 Cg_endo -69.74 148.07 85.93 Favored 'Cis proline' 0 C--O 1.231 0.142 0 C-N-CA 122.7 -1.792 . . . . 0.0 112.363 -0.096 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 15.2 ptt-85 -83.38 169.04 16.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.867 -179.927 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.534 ' HG ' HG21 ' A' ' 45' ' ' VAL . 13.9 tp -103.15 129.08 49.93 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.89 -179.926 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER -133.45 156.2 48.16 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.198 -0.456 . . . . 0.0 110.843 179.968 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 1.7 mp0 -52.28 125.48 16.06 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.406 ' O ' HG23 ' A' ' 44' ' ' ILE . . . 121.34 -42.76 1.63 Allowed Glycine 0 N--CA 1.452 -0.282 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.502 -179.98 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.432 ' HB3' HG11 ' A' ' 102' ' ' VAL . 95.2 m-20 -51.49 99.74 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.714 0.292 . . . . 0.0 110.9 -179.989 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 42.1 tt0 -73.1 125.66 28.19 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.945 -179.908 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.1 t -78.86 111.24 15.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.209 -0.45 . . . . 0.0 111.126 179.98 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.507 HG12 ' HG ' ' A' ' 69' ' ' LEU . 93.7 t -89.1 -37.43 9.99 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.115 179.906 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.507 ' HG ' HG12 ' A' ' 68' ' ' VAL . 88.9 mt -149.4 137.77 20.77 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.938 179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.448 HG22 ' ND2' ' A' ' 71' ' ' ASN . 15.7 mt -109.42 95.56 3.92 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.328 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.113 179.858 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.448 ' ND2' HG22 ' A' ' 70' ' ' ILE . 0.8 OUTLIER 73.18 40.25 0.56 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.917 179.923 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 84.03 -37.17 2.85 Favored Glycine 0 N--CA 1.452 -0.299 0 C-N-CA 120.773 -0.727 . . . . 0.0 112.445 179.982 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 91.8 mtt180 -80.19 141.19 35.88 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.838 0.351 . . . . 0.0 110.852 -179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . 0.477 ' HA ' HD23 ' A' ' 69' ' ' LEU . 0.5 OUTLIER -85.93 141.61 29.43 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.845 179.94 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . . . . . . . . . 2.8 pp -123.94 11.02 4.98 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.33 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.107 179.995 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -57.17 -12.94 2.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.182 -0.463 . . . . 0.0 111.064 179.875 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 15.3 mp0 -99.25 -23.34 15.23 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-N 116.226 -0.443 . . . . 0.0 110.903 -179.922 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 21.3 m170 -71.5 146.81 48.31 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.826 -179.985 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.43 ' O ' ' C ' ' A' ' 80' ' ' HIS . 13.3 p -84.37 150.36 25.41 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.174 -0.466 . . . . 0.0 111.139 -179.897 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.43 ' C ' ' O ' ' A' ' 79' ' ' THR . 22.1 t60 -35.07 -63.72 0.31 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.25 -0.432 . . . . 0.0 110.85 179.929 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.408 ' OD1' ' N ' ' A' ' 81' ' ' ASP . 0.3 OUTLIER -42.48 -64.18 0.65 Allowed 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.838 -179.992 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 12.1 tt0 -49.18 -62.07 1.74 Allowed 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.899 -179.89 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 89.5 t -39.48 -50.46 0.51 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.189 -0.46 . . . . 0.0 111.174 179.954 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.403 HG23 ' O ' ' A' ' 80' ' ' HIS . 79.5 t -50.45 -50.31 21.93 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.148 179.922 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.0 mm? -69.41 -32.56 71.62 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 179.977 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 3.8 t80 -51.42 -39.33 57.08 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.888 179.965 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.477 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 14.3 mt -69.66 -46.0 76.27 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.165 179.932 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.6 OUTLIER -58.45 -33.14 69.39 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.132 -0.485 . . . . 0.0 110.907 179.794 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.502 ' HB1' ' CZ ' ' A' ' 93' ' ' ARG . . . -55.16 -30.21 59.39 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.102 179.847 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.753 ' HB3' HD12 ' A' ' 98' ' ' LEU . 9.6 p -38.19 -28.02 0.02 OUTLIER 'General case' 0 C--N 1.33 -0.257 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.881 -179.77 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.479 ' N ' ' O ' ' A' ' 89' ' ' ALA . 7.4 p -44.32 -43.98 7.83 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.114 -0.493 . . . . 0.0 110.939 -179.996 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 32.3 mm-40 -132.7 58.86 1.74 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.914 -179.895 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.502 ' CZ ' ' HB1' ' A' ' 89' ' ' ALA . 68.8 mmt-85 -123.48 179.56 4.7 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.901 -179.934 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 42.7 m80 -71.82 173.96 7.54 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.875 179.986 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.493 ' O ' ' N ' ' A' ' 97' ' ' GLU . 28.3 p 43.56 26.36 0.11 Allowed 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.239 -0.437 . . . . 0.0 110.823 -179.795 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.428 ' C ' ' O ' ' A' ' 95' ' ' SER . . . 34.62 -93.03 0.01 OUTLIER Glycine 0 N--CA 1.451 -0.314 0 C-N-CA 120.754 -0.736 . . . . 0.0 112.464 179.997 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.493 ' N ' ' O ' ' A' ' 95' ' ' SER . 16.9 pt-20 -47.37 174.75 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.862 0.363 . . . . 0.0 110.893 -179.853 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.753 HD12 ' HB3' ' A' ' 90' ' ' SER . 1.2 tt -119.59 146.09 45.83 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.877 -179.94 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.429 ' N ' HD23 ' A' ' 98' ' ' LEU . 2.8 mtt -129.18 121.9 28.64 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.864 179.837 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 13.5 mt -108.18 116.35 31.81 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.951 179.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 13.5 tp -85.33 103.11 13.96 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.97 179.85 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.432 HG11 ' HB3' ' A' ' 65' ' ' ASP . 18.8 m -112.07 171.92 3.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.165 -0.47 . . . . 0.0 111.117 179.881 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.625 ' HG3' HD21 ' A' ' 16' ' ' LEU . 13.3 ttm180 -111.85 124.67 31.82 Favored Pre-proline 0 C--N 1.329 -0.323 0 CA-C-O 121.581 0.705 . . . . 0.0 110.91 -179.999 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.79 152.66 69.21 Favored 'Trans proline' 0 C--N 1.341 0.157 0 C-N-CA 122.688 2.258 . . . . 0.0 112.307 -179.978 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.9 m-20 -115.85 88.58 2.92 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.856 -179.975 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 64.6 25.73 13.18 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.149 -0.478 . . . . 0.0 111.076 179.858 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.6 t -112.0 58.43 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-N 116.187 -0.46 . . . . 0.0 111.155 179.941 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 23.3 p90 -99.78 101.24 12.33 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.898 -179.903 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 4.2 t0 -151.13 153.64 35.4 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.078 -0.51 . . . . 0.0 110.897 179.862 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 13.6 p -49.03 135.11 6.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.291 0 CA-C-N 116.207 -0.452 . . . . 0.0 111.125 -179.972 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 3.3 p -119.26 146.89 23.27 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.317 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 179.919 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 17.4 tp10 -129.23 115.24 17.34 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.93 179.997 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 9.6 tt0 -124.52 -57.7 1.55 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 116.13 -0.487 . . . . 0.0 110.866 -179.902 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 32.9 p -114.2 175.93 5.26 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.87 -179.794 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -99.58 151.68 19.35 Favored Glycine 0 N--CA 1.451 -0.32 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.469 -179.971 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.73 -44.0 2.35 Favored 'Trans proline' 0 C--N 1.341 0.174 0 C-N-CA 122.717 2.278 . . . . 0.0 112.344 -179.944 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.7 t -56.32 133.89 53.09 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.859 -179.834 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 15.0 t -115.82 147.6 40.82 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.133 -0.485 . . . . 0.0 110.841 -179.813 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.355 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.511 179.984 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.3 0 N-CA-C 112.467 -0.253 . . . . 0.0 112.467 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 28.0 p -166.6 136.16 3.07 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.84 0.352 . . . . 0.0 110.896 -179.806 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 76.3 p -137.18 120.27 16.63 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.894 -179.787 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -106.77 -85.91 1.83 Allowed Glycine 0 N--CA 1.451 -0.328 0 C-N-CA 120.741 -0.742 . . . . 0.0 112.513 -179.992 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 68.7 m 43.32 42.5 3.69 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-O 120.929 0.395 . . . . 0.0 110.885 -179.719 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 1.6 t -134.31 161.95 33.53 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.828 -179.81 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 116.74 173.86 16.99 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.732 -0.747 . . . . 0.0 112.482 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 31.9 m-20 -145.11 125.1 13.54 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.86 0.362 . . . . 0.0 110.886 -179.848 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -71.73 101.16 0.97 Allowed Glycine 0 N--CA 1.451 -0.302 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.496 179.974 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 160.46 91.21 0.08 OUTLIER Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.485 -179.921 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 49.0 mm -47.29 130.36 9.87 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.636 0.731 . . . . 0.0 111.136 -179.93 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.77 146.02 58.83 Favored 'Trans proline' 0 C--N 1.342 0.192 0 C-N-CA 122.717 2.278 . . . . 0.0 112.335 179.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 29.3 m170 -96.36 90.74 5.54 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.84 179.945 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 4.8 p30 -157.34 172.62 18.28 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.887 179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 5.5 p-10 -126.36 52.19 1.74 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.23 -0.441 . . . . 0.0 110.942 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.8 mm? -72.62 157.67 37.12 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.152 -0.476 . . . . 0.0 110.893 179.998 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 87.2 t -98.85 121.67 49.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.155 -0.475 . . . . 0.0 111.13 179.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 14.6 tp -101.59 129.54 47.72 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.931 179.98 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.427 HD13 ' HG2' ' A' ' 59' ' ' PRO . 7.5 mm -100.29 123.63 53.28 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.14 179.858 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.465 ' CZ ' ' HB3' ' A' ' 20' ' ' ARG . 13.5 mtp-105 -126.15 131.06 52.12 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.862 179.962 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -159.39 176.27 12.33 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.869 179.986 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 20.9 pttp -122.16 151.72 59.15 Favored Pre-proline 0 C--N 1.329 -0.302 0 CA-C-O 121.561 0.695 . . . . 0.0 110.898 179.955 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.4 Cg_endo -69.79 147.09 61.88 Favored 'Trans proline' 0 C--O 1.232 0.185 0 C-N-CA 122.723 2.282 . . . . 0.0 112.333 179.898 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t0 -72.18 -177.59 2.16 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.906 179.911 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 7.8 mm-40 -58.01 -35.66 71.57 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.873 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 22.2 m120 -93.95 24.85 3.98 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.879 -179.912 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 45.3 56.64 6.09 Favored Glycine 0 N--CA 1.452 -0.296 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.483 179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 7.7 ptm180 -149.67 149.93 31.36 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 120.848 0.356 . . . . 0.0 110.84 -179.854 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 24.0 m-85 -104.28 -176.02 2.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.88 -179.925 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.721 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -129.31 65.29 0.59 Allowed Glycine 0 N--CA 1.451 -0.305 0 C-N-CA 120.731 -0.747 . . . . 0.0 112.485 -179.999 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.594 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 6.7 p90 -158.03 127.86 6.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.854 0.359 . . . . 0.0 110.872 -179.88 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 52.1 t30 -104.83 140.89 37.46 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.86 -179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 27.0 m -116.2 155.69 17.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.102 179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 30.7 pttt -143.67 143.71 31.56 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.905 179.879 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . 0.439 ' HA2' ' CG ' ' A' ' 41' ' ' MET . . . 105.98 158.94 22.42 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.793 -0.718 . . . . 0.0 112.473 179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 163.93 -174.52 40.08 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.706 -0.759 . . . . 0.0 112.487 -179.903 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 74.4 t80 -60.16 -31.81 70.46 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.883 0.373 . . . . 0.0 110.943 -179.868 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -55.75 -41.93 74.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.106 -0.497 . . . . 0.0 110.897 179.937 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.401 ' O ' ' C ' ' A' ' 40' ' ' LYS . 11.3 mm-40 -109.92 27.34 9.69 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.913 -179.936 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.401 ' C ' ' O ' ' A' ' 39' ' ' GLN . 3.5 mtpm? 37.47 36.73 0.08 Allowed 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.921 179.945 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.439 ' CG ' ' HA2' ' A' ' 35' ' ' GLY . 9.0 ptm -128.65 154.17 79.66 Favored Pre-proline 0 C--N 1.33 -0.278 0 CA-C-O 121.58 0.705 . . . . 0.0 110.899 179.872 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.84 157.2 61.05 Favored 'Trans proline' 0 C--O 1.232 0.191 0 C-N-CA 122.648 2.232 . . . . 0.0 112.364 -179.96 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.41 HG22 ' O ' ' A' ' 35' ' ' GLY . 42.9 t -91.19 116.18 31.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.301 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.142 179.95 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 5.3 mp -133.79 136.34 54.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.141 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.503 HG21 ' OD2' ' A' ' 65' ' ' ASP . 73.2 t -51.48 114.43 0.41 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.185 -0.461 . . . . 0.0 111.109 179.875 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 1.2 p -68.68 -62.39 1.41 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.888 -179.884 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . 0.472 ' HD2' ' N ' ' A' ' 48' ' ' VAL . 3.5 tmm_? -146.09 148.4 32.59 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.125 -0.489 . . . . 0.0 110.889 -179.953 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.604 HG13 ' O ' ' A' ' 30' ' ' GLY . 74.2 t -123.62 119.98 58.69 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.134 179.963 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -76.78 143.55 71.48 Favored Pre-proline 0 C--N 1.329 -0.285 0 CA-C-O 121.528 0.68 . . . . 0.0 111.135 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.1 Cg_endo -69.79 173.42 11.03 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.671 2.247 . . . . 0.0 112.335 -179.968 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 51.65 45.86 54.21 Favored Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.486 179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.721 HG21 ' HA3' ' A' ' 30' ' ' GLY . 10.4 p -131.66 155.69 81.1 Favored Pre-proline 0 C--N 1.329 -0.288 0 CA-C-O 121.577 0.703 . . . . 0.0 111.127 -179.901 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.82 -6.58 18.98 Favored 'Trans proline' 0 C--N 1.341 0.172 0 C-N-CA 122.654 2.236 . . . . 0.0 112.33 179.954 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -93.66 -19.47 21.1 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.23 -0.441 . . . . 0.0 111.088 179.865 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 3.6 t70 -99.62 -63.03 1.16 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.256 -0.429 . . . . 0.0 110.873 179.978 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 6.5 mt -46.73 -20.53 0.14 Allowed 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.91 -179.931 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 2.9 p -68.37 167.89 13.68 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.885 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.497 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 1.4 p -132.72 128.9 21.07 Favored Pre-proline 0 C--N 1.329 -0.297 0 CA-C-O 121.64 0.733 . . . . 0.0 111.113 -179.992 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.497 ' C ' ' HA ' ' A' ' 58' ' ' VAL . 54.3 Cg_endo -69.71 135.47 33.9 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.705 -1.789 . . . . 0.0 112.338 -0.066 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 35.2 ttt180 -55.87 118.11 4.3 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.84 -179.988 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . 0.517 HD11 ' OD2' ' A' ' 65' ' ' ASP . 7.9 tp -67.04 108.98 2.81 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.886 -179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . 0.445 ' O ' ' C ' ' A' ' 63' ' ' GLU . 8.1 p30 -111.0 127.4 55.51 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.89 179.891 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . 0.477 ' HA ' ' CG1' ' A' ' 45' ' ' VAL . 0.2 OUTLIER -34.14 149.31 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.202 -0.453 . . . . 0.0 110.877 -179.941 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 101.84 -12.45 57.75 Favored Glycine 0 N--CA 1.452 -0.27 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.464 -179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . 0.517 ' OD2' HD11 ' A' ' 61' ' ' LEU . 3.0 p-10 -77.21 126.83 31.59 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 120.783 0.325 . . . . 0.0 110.813 -179.941 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 58.2 tt0 -88.3 124.65 34.1 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.935 -179.984 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 6.7 t -84.48 104.89 13.2 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.232 -0.44 . . . . 0.0 111.143 179.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.453 HG12 ' HG ' ' A' ' 69' ' ' LEU . 50.7 t -72.13 -47.88 52.0 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.267 0 CA-C-N 116.169 -0.468 . . . . 0.0 111.161 179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.453 ' HG ' HG12 ' A' ' 68' ' ' VAL . 19.0 mt -149.02 143.75 26.29 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.876 179.958 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.774 HG22 ' ND2' ' A' ' 71' ' ' ASN . 63.2 mt -98.06 104.51 16.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.134 179.819 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . 0.774 ' ND2' HG22 ' A' ' 70' ' ' ILE . 20.7 p30 47.14 38.94 7.38 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.906 179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 78.5 44.95 10.16 Favored Glycine 0 N--CA 1.451 -0.353 0 C-N-CA 120.78 -0.724 . . . . 0.0 112.453 179.967 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.6 mmp_? -137.39 121.91 18.41 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.824 0.345 . . . . 0.0 110.903 -179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.7 t0 -67.15 113.31 5.0 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.86 -179.994 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.442 HD12 ' C ' ' A' ' 75' ' ' ILE . 2.9 pp -131.24 13.23 1.9 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.144 179.966 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -67.11 -46.01 75.48 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.086 179.799 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 61.8 mm-40 -93.81 27.95 2.55 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.211 -0.45 . . . . 0.0 110.862 -179.875 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.552 ' CE1' ' HB3' ' A' ' 82' ' ' GLN . 4.6 t-160 -108.66 148.76 29.92 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.87 -179.956 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.416 ' O ' HG23 ' A' ' 83' ' ' VAL . 82.1 p -63.43 165.0 8.33 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.273 -0.421 . . . . 0.0 111.152 -179.938 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 18.8 t60 -70.03 -56.65 6.4 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.224 -0.443 . . . . 0.0 110.834 179.915 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.6 m-20 -42.44 -45.15 4.3 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.873 -179.983 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.552 ' HB3' ' CE1' ' A' ' 78' ' ' HIS . 9.0 mm-40 -64.14 -65.78 0.63 Allowed 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.898 -179.919 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.416 HG23 ' O ' ' A' ' 79' ' ' THR . 55.4 t -36.55 -58.58 0.15 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.13 179.969 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 87.7 t -47.31 -43.24 7.98 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.269 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.164 179.928 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 23.1 mt -71.84 -35.94 70.01 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.116 -0.493 . . . . 0.0 110.926 179.962 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 1.3 t80 -48.19 -53.13 17.93 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.876 179.916 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.443 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 38.8 mt -53.88 -54.96 16.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 CA-C-N 116.135 -0.484 . . . . 0.0 111.149 179.996 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 39.6 mttm -46.33 -56.88 5.19 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.905 179.827 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.436 ' O ' ' C ' ' A' ' 90' ' ' SER . . . -37.35 -51.44 1.08 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.141 179.823 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.436 ' C ' ' O ' ' A' ' 89' ' ' ALA . 7.6 m -35.39 -46.06 0.36 Allowed 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.836 -179.776 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 43.8 t -77.99 -47.58 18.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.837 -179.923 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 38.4 mt-10 -45.83 -49.35 15.33 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.913 -179.874 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.7 ptm180 -71.14 173.24 7.9 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.154 -0.476 . . . . 0.0 110.869 -179.895 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.43 ' O ' ' C ' ' A' ' 95' ' ' SER . 4.0 t-160 -56.21 -54.46 44.95 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.878 179.974 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . 0.43 ' C ' ' O ' ' A' ' 94' ' ' HIS . 70.0 m -35.49 134.57 0.31 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.873 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -125.59 72.04 0.45 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.508 179.986 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 9.7 pt-20 -172.76 145.2 1.45 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.891 0.376 . . . . 0.0 110.902 -179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.676 HD11 HD21 ' A' ' 100' ' ' LEU . 0.4 OUTLIER -122.08 129.9 52.79 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.954 -179.989 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.541 ' N ' HD13 ' A' ' 98' ' ' LEU . 6.0 mtp -133.23 117.2 17.12 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.865 179.91 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.676 HD21 HD11 ' A' ' 98' ' ' LEU . 5.5 mt -117.72 128.27 54.72 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.223 -0.444 . . . . 0.0 110.916 -179.965 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 12.6 tp -91.39 106.51 18.55 Favored 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.941 179.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 17.9 m -111.36 155.1 12.82 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.293 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.115 179.857 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 11.7 ttt85 -97.03 136.02 21.73 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.54 0.686 . . . . 0.0 110.919 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.77 145.46 57.16 Favored 'Trans proline' 0 C--N 1.34 0.122 0 C-N-CA 122.665 2.243 . . . . 0.0 112.342 -179.993 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 18.8 t-20 -118.95 81.38 1.69 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.876 -179.958 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -103.92 125.0 50.0 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.107 179.869 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 61.5 t -149.22 127.69 3.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.167 179.982 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 1.1 t80 -47.74 126.25 9.93 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.914 -179.906 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 7.5 p-10 -136.63 145.5 44.93 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.921 179.887 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . 0.516 ' O ' HG13 ' A' ' 110' ' ' VAL . 6.8 p -124.76 111.86 29.74 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.121 -179.984 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 95.7 t -112.1 139.33 37.19 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.265 0 CA-C-N 116.147 -0.479 . . . . 0.0 111.111 179.899 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -153.14 124.8 7.74 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.841 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.9 pt-20 -169.19 113.61 0.55 Allowed 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.902 -179.973 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 24.2 p -153.22 142.76 21.8 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.849 -179.793 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . 117.88 -158.8 14.48 Favored Glycine 0 N--CA 1.45 -0.367 0 C-N-CA 120.753 -0.737 . . . . 0.0 112.491 179.977 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 100.57 0.83 Allowed 'Trans proline' 0 C--N 1.341 0.168 0 C-N-CA 122.686 2.257 . . . . 0.0 112.332 -179.946 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 36.9 m -141.16 121.84 14.29 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.257 -0.428 . . . . 0.0 110.896 -179.872 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 28.8 t -92.38 -54.72 3.69 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.127 -0.488 . . . . 0.0 110.857 -179.791 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.307 0 C-N-CA 120.723 -0.751 . . . . 0.0 112.538 -179.932 . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.29 0 N-CA-C 112.5 -0.24 . . . . 0.0 112.5 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 1.8 m -170.85 132.08 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 120.904 0.383 . . . . 0.0 110.844 -179.776 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.9 p -164.88 127.36 2.23 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.882 -179.793 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -144.85 164.84 27.77 Favored Glycine 0 N--CA 1.451 -0.312 0 C-N-CA 120.747 -0.74 . . . . 0.0 112.474 -179.984 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 53.0 p -156.99 167.6 30.0 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 120.89 0.376 . . . . 0.0 110.841 -179.76 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 26.0 p -130.64 170.74 13.9 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.87 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -149.62 84.45 0.17 Allowed Glycine 0 N--CA 1.451 -0.308 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.504 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 34.6 t30 -146.64 123.28 11.16 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-O 120.864 0.364 . . . . 0.0 110.844 -179.894 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -160.92 94.54 0.13 Allowed Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.716 -0.754 . . . . 0.0 112.482 179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 137.03 131.32 2.96 Favored Glycine 0 N--CA 1.452 -0.289 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.494 -179.906 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.571 ' N ' HD13 ' A' ' 11' ' ' ILE . 0.1 OUTLIER -40.6 146.59 0.44 Allowed Pre-proline 0 C--N 1.329 -0.31 0 CA-C-O 121.613 0.721 . . . . 0.0 111.179 -179.994 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.83 -21.45 33.12 Favored 'Trans proline' 0 C--O 1.231 0.164 0 C-N-CA 122.69 2.26 . . . . 0.0 112.338 179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 6.8 t-80 -80.85 87.78 5.89 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.215 -0.448 . . . . 0.0 110.886 179.9 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.0 t70 -118.99 175.68 5.65 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.864 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 2.1 m120 -96.86 -41.46 8.42 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.913 -179.932 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . 0.413 ' HB3' HD11 ' A' ' 101' ' ' LEU . 3.9 mm? -74.4 153.12 39.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.9 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.59 HG23 ' HG3' ' A' ' 104' ' ' PRO . 85.1 t -102.29 148.32 7.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.125 179.832 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 5.4 tp -127.95 137.03 52.11 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.951 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.546 HD13 ' HG2' ' A' ' 59' ' ' PRO . 6.8 mm -102.48 115.52 44.53 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.161 179.82 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 50.5 mtm180 -114.87 131.39 56.87 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.871 -179.998 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -165.13 149.98 9.16 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.902 179.994 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 2.2 ptpp? -87.82 155.34 53.07 Favored Pre-proline 0 C--N 1.329 -0.319 0 CA-C-O 121.551 0.691 . . . . 0.0 110.877 179.964 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 157.89 58.8 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.65 2.234 . . . . 0.0 112.32 179.899 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -79.31 173.17 12.85 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.191 -0.459 . . . . 0.0 110.869 179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 5.7 tt0 -46.37 -46.45 18.43 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.889 -179.916 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 42.6 t-20 -82.25 -16.38 49.73 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.885 -179.927 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 97.79 37.7 4.37 Favored Glycine 0 N--CA 1.452 -0.294 0 C-N-CA 120.759 -0.734 . . . . 0.0 112.45 179.939 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 54.6 mtt180 -128.21 172.43 11.03 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.831 0.348 . . . . 0.0 110.867 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.447 ' CE1' HG22 ' A' ' 87' ' ' ILE . 50.1 m-85 -120.08 176.74 5.29 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.866 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -117.01 64.69 0.35 Allowed Glycine 0 N--CA 1.451 -0.347 0 C-N-CA 120.792 -0.718 . . . . 0.0 112.488 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.414 ' CD1' ' C ' ' A' ' 31' ' ' PHE . 8.8 p90 -165.31 135.08 3.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.883 0.373 . . . . 0.0 110.899 -179.867 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.6 m-80 -106.5 162.53 13.64 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.89 -179.905 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 34.2 m -136.42 162.59 35.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.126 179.969 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 45.3 pttt -148.61 159.06 44.46 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.91 179.853 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 96.86 -168.59 24.92 Favored Glycine 0 N--CA 1.451 -0.315 0 C-N-CA 120.724 -0.751 . . . . 0.0 112.502 179.993 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.45 164.28 9.88 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.766 -0.73 . . . . 0.0 112.51 -179.892 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 18.2 t80 -47.29 -27.7 1.67 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-O 120.905 0.383 . . . . 0.0 110.918 -179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 2.9 t70 -65.33 -41.01 94.38 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.879 179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 72.5 mm-40 -99.85 19.31 16.31 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.917 -179.896 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 13.2 mmtp 42.93 30.3 0.24 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.919 179.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 10.9 ptm -127.24 151.5 74.66 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.562 0.696 . . . . 0.0 110.899 179.891 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.551 ' HG2' HD11 ' A' ' 44' ' ' ILE . 54.0 Cg_endo -69.74 162.28 42.65 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.681 2.254 . . . . 0.0 112.371 179.98 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.483 ' C ' HD12 ' A' ' 44' ' ' ILE . 50.5 t -90.73 120.03 38.9 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.235 -0.439 . . . . 0.0 111.091 179.962 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.551 HD11 ' HG2' ' A' ' 42' ' ' PRO . 4.2 mp -137.98 142.13 36.69 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.102 179.952 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . 0.446 HG11 ' CG2' ' A' ' 48' ' ' VAL . 63.6 t -54.65 132.28 17.76 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.176 -0.465 . . . . 0.0 111.096 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 56.7 p -94.13 -59.42 1.97 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.876 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 13.5 tpt85 -135.84 148.07 48.52 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.146 -0.479 . . . . 0.0 110.87 -179.92 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.446 ' CG2' HG11 ' A' ' 45' ' ' VAL . 58.4 t -138.2 110.41 6.43 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.095 -179.999 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -80.3 148.08 66.08 Favored Pre-proline 0 C--N 1.329 -0.306 0 CA-C-O 121.597 0.713 . . . . 0.0 111.089 179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.408 ' O ' HG23 ' A' ' 52' ' ' THR . 54.2 Cg_endo -69.72 -177.43 1.86 Allowed 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.656 2.238 . . . . 0.0 112.385 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 44.17 46.7 8.19 Favored Glycine 0 N--CA 1.452 -0.277 0 C-N-CA 120.77 -0.729 . . . . 0.0 112.522 -179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.408 HG23 ' O ' ' A' ' 50' ' ' PRO . 13.1 p -132.17 154.82 81.78 Favored Pre-proline 0 C--N 1.33 -0.277 0 CA-C-O 121.564 0.697 . . . . 0.0 111.153 -179.848 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.5 Cg_endo -69.83 2.2 3.79 Favored 'Trans proline' 0 N--CA 1.466 -0.144 0 C-N-CA 122.706 2.271 . . . . 0.0 112.33 179.938 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -108.05 -24.96 11.37 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.231 -0.441 . . . . 0.0 111.075 179.882 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.7 t70 -93.41 -34.32 13.5 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.892 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 8.1 mt -81.67 -15.72 53.6 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.903 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 1.6 p -74.29 160.22 31.38 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.211 -0.449 . . . . 0.0 110.879 179.909 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.676 HG13 ' HA ' ' A' ' 59' ' ' PRO . 92.8 t -124.72 137.58 29.72 Favored Pre-proline 0 C--N 1.329 -0.325 0 CA-C-O 121.662 0.744 . . . . 0.0 111.113 -179.964 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.676 ' HA ' HG13 ' A' ' 58' ' ' VAL . 53.1 Cg_endo -69.81 141.66 66.89 Favored 'Cis proline' 0 C--N 1.342 0.198 0 C-N-CA 122.651 -1.812 . . . . 0.0 112.292 0.008 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 19.2 ttt180 -49.01 129.03 17.09 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.891 -179.992 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 17.3 tp -89.08 100.55 13.3 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.185 -0.462 . . . . 0.0 110.905 -179.977 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 1.6 p-10 -108.15 163.35 13.24 Favored 'General case' 0 C--N 1.33 -0.261 0 CA-C-N 116.156 -0.474 . . . . 0.0 110.921 179.903 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 28.6 mt-10 -54.04 145.49 16.72 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.875 -179.983 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.4 ' C ' HG23 ' A' ' 44' ' ' ILE . . . 103.21 -27.72 18.81 Favored Glycine 0 N--CA 1.451 -0.343 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.515 -179.935 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 79.0 m-20 -56.95 89.78 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.343 0 CA-C-O 120.832 0.348 . . . . 0.0 110.835 -179.933 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 37.7 tt0 -70.64 116.91 11.51 Favored 'General case' 0 C--N 1.33 -0.28 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.878 -179.94 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 65.7 t -71.75 113.2 8.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.282 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.131 179.893 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.634 HG12 ' HG ' ' A' ' 69' ' ' LEU . 61.1 t -83.74 -55.56 7.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.112 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.634 ' HG ' HG12 ' A' ' 68' ' ' VAL . 65.7 mt -139.45 143.08 37.41 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.932 179.924 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.608 HG21 ' HB3' ' A' ' 86' ' ' PHE . 51.4 mt -111.68 123.97 68.0 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.173 -0.467 . . . . 0.0 111.101 179.86 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 75.5 m-20 51.73 36.71 18.35 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.936 179.931 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 63.05 37.57 95.16 Favored Glycine 0 N--CA 1.452 -0.271 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.44 179.968 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 38.9 mtp180 -135.43 156.89 48.18 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.815 0.34 . . . . 0.0 110.878 -179.928 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 18.3 p-10 -72.64 127.43 32.53 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.835 179.991 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.771 HD12 ' N ' ' A' ' 76' ' ' ALA . 2.8 pp -121.4 -39.0 1.54 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.158 -0.474 . . . . 0.0 111.135 179.975 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.771 ' N ' HD12 ' A' ' 75' ' ' ILE . . . -51.81 -37.22 50.79 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.075 179.805 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 21.1 mt-10 -73.07 -19.87 61.08 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 15.0 m170 -89.25 166.07 14.03 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.799 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 27.1 p -84.63 173.59 10.64 Favored 'General case' 0 C--N 1.33 -0.264 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.139 -179.926 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.445 ' O ' HG23 ' A' ' 84' ' ' VAL . 31.1 t60 -56.23 -49.89 72.83 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.866 179.932 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -51.66 -62.16 1.8 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.909 179.961 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.546 ' OE1' ' CE2' ' A' ' 86' ' ' PHE . 0.6 OUTLIER -42.24 -51.53 4.72 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.904 -179.945 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . . . . . . . . . 49.9 t -54.53 -46.64 71.71 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.227 -0.442 . . . . 0.0 111.118 179.973 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.445 HG23 ' O ' ' A' ' 80' ' ' HIS . 95.0 t -55.01 -26.26 17.42 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.286 0 CA-C-N 116.158 -0.473 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 9.9 mp -82.22 -44.19 16.68 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.155 -0.475 . . . . 0.0 110.896 -180.0 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.608 ' HB3' HG21 ' A' ' 70' ' ' ILE . 2.9 m-85 -45.08 -29.9 0.98 Allowed 'General case' 0 C--N 1.328 -0.337 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.856 179.967 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.447 HG22 ' CE1' ' A' ' 29' ' ' PHE . 10.2 mt -80.88 -54.23 10.77 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.306 0 CA-C-N 116.141 -0.481 . . . . 0.0 111.15 179.951 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 65.6 mttm -54.27 -44.74 72.11 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.909 179.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.411 ' O ' ' C ' ' A' ' 90' ' ' SER . . . -40.28 -40.41 1.14 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.112 179.802 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . 0.411 ' C ' ' O ' ' A' ' 89' ' ' ALA . 89.9 p -37.37 -54.47 1.08 Allowed 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.166 -0.47 . . . . 0.0 110.862 -179.749 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 61.6 m -39.22 -50.35 1.94 Allowed 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.143 -0.481 . . . . 0.0 110.898 -179.941 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 8.6 tp10 -99.16 73.26 1.9 Allowed 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.897 -179.897 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.3 mmp_? -130.75 148.73 52.56 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.834 -179.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 34.8 m-70 -52.96 -48.16 67.6 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.825 -179.98 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 26.5 m -87.69 -51.27 5.97 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.863 -179.764 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 91.63 91.41 1.39 Allowed Glycine 0 N--CA 1.451 -0.322 0 C-N-CA 120.786 -0.721 . . . . 0.0 112.518 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 0.5 OUTLIER -173.51 177.8 2.48 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-O 120.871 0.367 . . . . 0.0 110.876 -179.818 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.56 HD11 HD21 ' A' ' 100' ' ' LEU . 0.5 OUTLIER -129.54 132.15 46.77 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.173 -0.467 . . . . 0.0 110.894 -179.954 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.542 ' N ' HD13 ' A' ' 98' ' ' LEU . 8.5 mtt -134.38 126.31 29.34 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.874 179.807 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.56 HD21 HD11 ' A' ' 98' ' ' LEU . 7.8 mt -131.69 119.29 21.15 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.901 179.983 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . 0.413 HD11 ' HB3' ' A' ' 16' ' ' LEU . 20.8 tp -91.67 101.5 14.13 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.912 179.849 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 33.8 m -101.46 158.95 4.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.233 -0.44 . . . . 0.0 111.131 179.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.464 ' HB2' ' CG2' ' A' ' 68' ' ' VAL . 17.8 ttp180 -107.43 107.38 60.31 Favored Pre-proline 0 C--N 1.329 -0.315 0 CA-C-O 121.608 0.718 . . . . 0.0 110.89 179.986 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.59 ' HG3' HG23 ' A' ' 17' ' ' VAL . 53.4 Cg_endo -69.81 148.11 64.04 Favored 'Trans proline' 0 C--N 1.341 0.14 0 C-N-CA 122.677 2.252 . . . . 0.0 112.296 -179.943 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 35.2 p-10 -114.96 86.56 2.47 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.859 -179.967 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -62.56 103.22 0.39 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.123 179.838 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 99.9 t -123.54 131.26 73.39 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.189 -0.459 . . . . 0.0 111.123 179.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 20.4 t80 -42.7 117.69 1.08 Allowed 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.968 -179.929 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -111.78 127.59 55.85 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.865 179.913 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.0 p -112.69 126.76 70.13 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.121 179.982 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 11.0 p -77.55 132.17 33.21 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.145 179.867 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 19.0 mt-10 -149.99 145.5 26.48 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.911 179.954 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 16.2 tp10 -101.19 44.55 1.01 Allowed 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.876 -179.889 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 19.1 p -55.04 129.56 38.42 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.865 -179.82 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -161.47 77.92 0.17 Allowed Glycine 0 N--CA 1.452 -0.298 0 C-N-CA 120.719 -0.753 . . . . 0.0 112.462 179.974 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 176.55 6.6 Favored 'Trans proline' 0 C--N 1.341 0.181 0 C-N-CA 122.678 2.252 . . . . 0.0 112.391 179.986 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 63.8 p -164.95 163.58 20.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.851 -179.849 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 3.6 m -134.51 174.39 10.6 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.847 -179.822 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 C-N-CA 120.734 -0.746 . . . . 0.0 112.473 -179.987 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.344 0 N-CA-C 112.533 -0.227 . . . . 0.0 112.533 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 24.2 t -87.7 82.89 7.26 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-O 120.862 0.363 . . . . 0.0 110.852 -179.713 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 53.0 p -100.98 121.67 42.18 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.163 -0.472 . . . . 0.0 110.861 -179.84 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . 139.63 77.06 0.05 OUTLIER Glycine 0 N--CA 1.451 -0.313 0 C-N-CA 120.698 -0.763 . . . . 0.0 112.486 -179.996 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 8.3 m -164.74 145.52 7.72 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-O 120.841 0.353 . . . . 0.0 110.855 -179.735 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 6.3 t -66.64 170.94 5.63 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.888 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . -135.4 62.37 0.61 Allowed Glycine 0 N--CA 1.452 -0.243 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.455 -179.992 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 4.9 m-20 -52.97 98.01 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.311 0 CA-C-O 120.931 0.396 . . . . 0.0 110.903 -179.913 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -61.54 121.36 25.84 Favored Glycine 0 N--CA 1.451 -0.342 0 C-N-CA 120.775 -0.726 . . . . 0.0 112.475 -179.99 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 67.12 -126.07 25.49 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.695 -0.764 . . . . 0.0 112.491 -179.936 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . 0.653 HD12 ' N ' ' A' ' 11' ' ' ILE . 2.3 mp -117.34 119.98 33.94 Favored Pre-proline 0 C--N 1.328 -0.327 0 CA-C-O 121.646 0.736 . . . . 0.0 111.112 -179.965 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 52.9 Cg_endo -69.84 179.62 3.61 Favored 'Trans proline' 0 C--N 1.342 0.195 0 C-N-CA 122.686 2.258 . . . . 0.0 112.3 179.927 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . 0.449 ' CD2' ' H ' ' A' ' 13' ' ' HIS . 0.2 OUTLIER -98.3 41.5 1.13 Allowed 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.874 179.94 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.1 t70 -42.43 135.06 2.83 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.916 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 9.3 m120 -120.73 -60.9 1.62 Allowed 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.261 -0.427 . . . . 0.0 110.915 -179.937 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 2.2 mp -89.02 160.02 17.3 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.885 179.964 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.584 HG13 HG23 ' A' ' 102' ' ' VAL . 3.0 p -81.61 149.62 4.81 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.311 0 CA-C-N 116.157 -0.474 . . . . 0.0 111.112 179.846 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 6.2 tp -125.72 136.84 53.63 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.62 HD13 ' HG2' ' A' ' 59' ' ' PRO . 8.8 mm -101.37 144.03 13.6 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.156 179.823 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 44.5 mtp180 -144.86 132.28 20.76 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.866 179.972 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.2 OUTLIER -162.28 175.11 11.96 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.851 179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 7.2 ptmm? -125.55 152.44 71.83 Favored Pre-proline 0 C--N 1.329 -0.311 0 CA-C-O 121.588 0.709 . . . . 0.0 110.861 179.954 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.79 144.82 55.09 Favored 'Trans proline' 0 C--N 1.342 0.205 0 C-N-CA 122.638 2.225 . . . . 0.0 112.317 179.904 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 8.2 t70 -70.46 -176.55 1.26 Allowed 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.863 179.924 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 16.0 mt-10 -68.03 -11.49 59.06 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.898 -179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 33.6 m-20 -116.78 10.38 14.22 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.898 -179.944 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 54.23 58.3 13.45 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.715 -0.755 . . . . 0.0 112.518 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 9.5 ptm180 -145.81 123.43 11.81 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-O 120.859 0.361 . . . . 0.0 110.869 -179.849 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 63.1 m-85 -84.1 178.43 7.84 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.206 -0.452 . . . . 0.0 110.878 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.564 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -131.31 71.08 0.51 Allowed Glycine 0 N--CA 1.451 -0.307 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.467 -179.96 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.479 ' CZ ' HD13 ' A' ' 87' ' ' ILE . 14.9 p90 -166.24 128.69 1.92 Allowed 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.823 0.344 . . . . 0.0 110.928 -179.887 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 5.0 m-20 -100.2 156.81 17.01 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 116.141 -0.481 . . . . 0.0 110.872 -179.933 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 35.4 m -131.06 152.91 38.32 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.309 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.092 179.922 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 15.9 pttp -133.67 149.12 51.55 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.902 179.905 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 89.47 177.68 45.61 Favored Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.771 -0.728 . . . . 0.0 112.496 179.915 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 172.77 -154.39 20.8 Favored Glycine 0 N--CA 1.451 -0.333 0 C-N-CA 120.802 -0.713 . . . . 0.0 112.514 -179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.479 ' CB ' ' O ' ' A' ' 77' ' ' GLU . 2.8 t80 -81.56 -45.82 15.34 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.915 0.388 . . . . 0.0 110.938 -179.816 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -60.95 -25.46 66.82 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.891 179.917 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . . . . . . . . . 40.3 mm-40 -95.34 0.41 53.6 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.9 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . . . . . . . . . 20.3 mtmm 50.18 43.95 26.1 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.229 -0.442 . . . . 0.0 110.91 179.962 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . . . . . . . . . 16.6 ptm -142.55 153.26 61.8 Favored Pre-proline 0 C--N 1.329 -0.313 0 CA-C-O 121.542 0.687 . . . . 0.0 110.913 179.903 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.556 ' HG2' HD11 ' A' ' 44' ' ' ILE . 53.9 Cg_endo -69.8 155.31 66.13 Favored 'Trans proline' 0 C--N 1.341 0.164 0 C-N-CA 122.626 2.218 . . . . 0.0 112.353 179.98 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . 0.489 ' C ' HD12 ' A' ' 44' ' ' ILE . 23.3 t -86.04 117.49 30.83 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.284 0 CA-C-N 116.24 -0.436 . . . . 0.0 111.091 179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.567 HD12 ' N ' ' A' ' 44' ' ' ILE . 4.0 mp -130.49 140.5 48.65 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.127 179.907 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 98.8 t -55.76 130.44 18.21 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.272 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.115 179.859 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 42.4 t -88.9 -58.81 2.41 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.897 -179.867 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 18.3 tpt85 -144.8 151.38 38.73 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.121 -0.49 . . . . 0.0 110.866 -179.97 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.492 HG13 ' O ' ' A' ' 30' ' ' GLY . 41.6 t -133.5 115.44 22.55 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.268 0 CA-C-N 116.191 -0.458 . . . . 0.0 111.116 179.959 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -82.85 146.89 53.45 Favored Pre-proline 0 C--N 1.329 -0.32 0 CA-C-O 121.545 0.688 . . . . 0.0 111.115 179.854 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.75 164.05 35.98 Favored 'Trans proline' 0 N--CA 1.465 -0.148 0 C-N-CA 122.727 2.285 . . . . 0.0 112.358 -179.988 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 65.99 40.73 95.39 Favored Glycine 0 N--CA 1.452 -0.283 0 C-N-CA 120.721 -0.752 . . . . 0.0 112.483 179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.564 HG21 ' HA3' ' A' ' 30' ' ' GLY . 16.5 p -131.5 154.78 81.98 Favored Pre-proline 0 C--N 1.329 -0.286 0 CA-C-O 121.579 0.704 . . . . 0.0 111.111 -179.836 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.6 Cg_endo -69.77 -0.86 7.53 Favored 'Trans proline' 0 C--N 1.342 0.187 0 C-N-CA 122.67 2.247 . . . . 0.0 112.353 179.914 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -105.79 -5.93 19.45 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.078 179.876 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.3 t70 -107.68 -53.65 2.59 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.196 -0.457 . . . . 0.0 110.867 179.969 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 13.9 mt -67.65 -22.64 65.3 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.882 -179.925 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 26.8 p -60.45 170.69 1.28 Allowed 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.884 179.916 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.512 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 57.4 t -140.73 133.94 14.74 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.594 0.711 . . . . 0.0 111.145 -179.969 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.62 ' HG2' HD13 ' A' ' 19' ' ' ILE . 54.1 Cg_endo -69.74 139.66 55.86 Favored 'Cis proline' 0 C--N 1.341 0.162 0 C-N-CA 122.623 -1.824 . . . . 0.0 112.365 -0.091 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 77.8 ttt180 -53.84 128.81 31.42 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 24.1 tp -81.38 86.5 6.27 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.945 179.986 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 3.1 t-20 -82.03 168.1 18.16 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.896 179.917 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 6.4 mp0 -68.07 134.89 51.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.858 -179.967 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 109.74 -13.33 32.41 Favored Glycine 0 N--CA 1.451 -0.306 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.46 179.98 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 1.0 OUTLIER -67.12 85.12 0.14 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.764 0.316 . . . . 0.0 110.864 -179.971 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 17.0 tt0 -59.38 113.42 2.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.849 -179.887 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 28.6 t -73.93 105.08 2.97 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.154 -0.476 . . . . 0.0 111.13 179.935 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.728 HG12 ' HG ' ' A' ' 69' ' ' LEU . 87.1 t -76.6 -40.24 33.29 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.125 179.927 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.728 ' HG ' HG12 ' A' ' 68' ' ' VAL . 41.1 mt -153.36 134.79 14.28 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.16 -0.473 . . . . 0.0 110.879 179.931 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.508 HG23 HD23 ' A' ' 100' ' ' LEU . 75.4 mt -99.44 122.1 50.84 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.276 0 CA-C-N 116.129 -0.487 . . . . 0.0 111.115 179.874 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 87.8 m-20 59.11 27.19 16.09 Favored 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.872 179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 70.46 41.44 66.64 Favored Glycine 0 N--CA 1.451 -0.348 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.472 179.952 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 77.4 mtt180 -137.74 158.95 43.28 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 120.817 0.341 . . . . 0.0 110.88 -179.9 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 5.0 p-10 -84.24 107.28 16.46 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.134 -0.485 . . . . 0.0 110.891 179.999 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.47 HD12 ' C ' ' A' ' 75' ' ' ILE . 2.8 pp -117.85 -4.96 11.21 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.326 0 CA-C-N 116.234 -0.439 . . . . 0.0 111.142 -179.983 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -58.83 -27.19 64.87 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.148 -0.478 . . . . 0.0 111.059 179.836 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . 0.479 ' O ' ' CB ' ' A' ' 37' ' ' TYR . 24.3 tt0 -79.14 -28.62 42.85 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.857 -179.888 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 18.0 m170 -67.77 149.7 49.6 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . . . . . . . . . 9.0 p -78.33 164.12 25.12 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.255 -0.429 . . . . 0.0 111.142 -179.921 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . . . . . . . . . 31.3 t60 -42.29 -55.07 3.48 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.849 179.923 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 11.2 m-20 -59.67 -46.88 87.71 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.191 -0.458 . . . . 0.0 110.886 179.987 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . . . . . . . . . 11.2 mm100 -55.85 -39.66 71.75 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.94 -179.934 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.462 ' O ' ' N ' ' A' ' 86' ' ' PHE . 23.1 t -66.51 -68.63 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.254 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.176 179.95 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.412 ' C ' ' O ' ' A' ' 83' ' ' VAL . 27.4 t -37.15 -51.12 0.31 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.145 -0.48 . . . . 0.0 111.153 179.899 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 8.2 mp -64.57 -37.87 89.06 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.182 -0.463 . . . . 0.0 110.938 179.931 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.462 ' N ' ' O ' ' A' ' 83' ' ' VAL . 46.4 t80 -50.16 -41.52 49.23 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.163 -0.471 . . . . 0.0 110.868 179.957 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.479 HD13 ' CZ ' ' A' ' 31' ' ' PHE . 40.9 mt -62.99 -58.6 6.85 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.322 0 CA-C-N 116.19 -0.459 . . . . 0.0 111.151 179.982 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -51.71 -42.78 62.49 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.86 179.835 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -46.05 -53.62 9.88 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.294 -0.412 . . . . 0.0 111.086 179.856 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 12.3 t -44.32 -51.39 8.48 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.212 -0.449 . . . . 0.0 110.89 -179.8 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.439 ' O ' ' C ' ' A' ' 92' ' ' GLU . 2.2 t -42.66 -54.17 4.13 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.918 -179.981 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.439 ' C ' ' O ' ' A' ' 91' ' ' CYS . 34.4 tt0 -35.14 -57.9 0.56 Allowed 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.918 -179.911 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.4 ptm180 -90.6 153.19 20.51 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.872 -179.938 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 88.0 m-70 -110.53 88.89 2.88 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.848 -179.965 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 38.7 t -90.77 -54.57 3.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.233 -0.44 . . . . 0.0 110.844 -179.75 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . -166.25 -93.69 0.09 OUTLIER Glycine 0 N--CA 1.451 -0.365 0 C-N-CA 120.749 -0.738 . . . . 0.0 112.532 179.948 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 15.8 mp0 -135.17 166.67 22.56 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-O 120.858 0.361 . . . . 0.0 110.886 -179.906 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . . . . . . . . . 0.4 OUTLIER -86.63 107.1 18.03 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.119 -0.492 . . . . 0.0 110.888 -179.973 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 18.7 mtt -111.07 141.73 44.17 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.861 179.831 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.508 HD23 HG23 ' A' ' 70' ' ' ILE . 8.7 mt -141.46 116.51 9.92 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.242 -0.435 . . . . 0.0 110.924 -179.979 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 14.8 tp -80.57 99.75 8.26 Favored 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.945 179.875 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.584 HG23 HG13 ' A' ' 17' ' ' VAL . 3.9 m -109.0 172.25 2.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.183 -0.462 . . . . 0.0 111.147 179.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.466 ' CG ' ' HD2' ' A' ' 104' ' ' PRO . 17.1 ttt-85 -102.02 139.32 20.2 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.617 0.722 . . . . 0.0 110.886 -179.984 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . 0.466 ' HD2' ' CG ' ' A' ' 103' ' ' ARG . 53.7 Cg_endo -69.78 137.55 35.68 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.692 2.261 . . . . 0.0 112.323 -179.972 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.3 t-20 -117.78 74.42 0.94 Allowed 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.898 179.983 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -52.0 123.54 10.69 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.122 -0.49 . . . . 0.0 111.072 179.889 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 12.7 p -168.55 140.06 0.67 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.287 0 CA-C-N 116.214 -0.448 . . . . 0.0 111.11 179.982 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 3.1 t80 -146.3 151.84 38.19 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.164 -0.471 . . . . 0.0 110.917 -179.939 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 1.9 p30 -158.86 171.26 20.38 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.857 179.926 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 87.7 t -62.49 128.42 24.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.205 -0.452 . . . . 0.0 111.143 179.985 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 96.6 t -95.36 91.38 2.91 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.253 0 CA-C-N 116.146 -0.479 . . . . 0.0 111.163 179.886 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.4 OUTLIER -152.07 166.12 32.6 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.845 -179.968 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 13.5 tp10 -164.42 108.78 0.95 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.926 -179.932 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 17.4 t -66.11 167.62 9.73 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.852 -179.754 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -140.3 85.04 0.21 Allowed Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.73 -0.747 . . . . 0.0 112.527 -179.977 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.74 -36.18 11.34 Favored 'Trans proline' 0 C--O 1.231 0.165 0 C-N-CA 122.719 2.279 . . . . 0.0 112.311 -179.929 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 36.2 t 49.73 52.41 14.64 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.233 -0.439 . . . . 0.0 110.874 -179.863 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 71.7 m 58.05 49.51 11.48 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.824 -179.805 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.313 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.495 179.991 . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 N-CA-C 112.517 -0.233 . . . . 0.0 112.517 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.7 m -159.45 106.63 1.72 Allowed 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 120.913 0.387 . . . . 0.0 110.869 -179.721 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 22.5 p -134.75 168.94 18.12 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.142 -0.481 . . . . 0.0 110.851 -179.768 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -162.81 90.21 0.11 Allowed Glycine 0 N--CA 1.451 -0.316 0 C-N-CA 120.699 -0.762 . . . . 0.0 112.504 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 60.7 p -41.64 117.99 1.01 Allowed 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.938 0.399 . . . . 0.0 110.861 -179.677 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 79.5 p -133.39 173.41 11.51 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.885 -179.791 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 167.33 -163.07 36.85 Favored Glycine 0 N--CA 1.451 -0.338 0 C-N-CA 120.75 -0.738 . . . . 0.0 112.501 179.984 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 82.6 m-20 -111.0 -61.76 1.64 Allowed 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 120.912 0.387 . . . . 0.0 110.872 -179.875 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . -60.75 -60.3 8.7 Favored Glycine 0 N--CA 1.451 -0.319 0 C-N-CA 120.765 -0.731 . . . . 0.0 112.472 179.983 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . 74.94 -171.64 53.68 Favored Glycine 0 N--CA 1.452 -0.276 0 C-N-CA 120.674 -0.774 . . . . 0.0 112.464 -179.904 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 9.9 pt -48.54 142.5 8.5 Favored Pre-proline 0 C--N 1.329 -0.308 0 CA-C-O 121.615 0.721 . . . . 0.0 111.104 -179.979 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.76 135.01 29.36 Favored 'Trans proline' 0 C--O 1.232 0.213 0 C-N-CA 122.693 2.262 . . . . 0.0 112.349 179.884 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 1.1 p-80 -149.23 170.05 19.36 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.835 179.95 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 45.9 m-20 -127.07 126.76 43.59 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.866 -179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 0.4 OUTLIER -47.75 -40.43 20.57 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.865 -179.877 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -80.42 154.71 27.49 Favored 'General case' 0 C--N 1.328 -0.359 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.901 179.962 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . 0.438 ' CG1' HG23 ' A' ' 102' ' ' VAL . 1.9 p -97.09 145.84 8.42 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.139 179.829 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . 0.476 HD11 ' CG ' ' A' ' 99' ' ' MET . 6.2 tp -112.63 135.97 52.74 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.909 179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.538 HD13 ' HG2' ' A' ' 59' ' ' PRO . 17.3 mm -106.58 130.13 58.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.313 0 CA-C-N 116.195 -0.457 . . . . 0.0 111.121 179.826 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . 0.433 ' HB3' ' NH1' ' A' ' 20' ' ' ARG . 5.7 mmm180 -122.8 128.62 50.68 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.154 -0.475 . . . . 0.0 110.899 179.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 5.3 ptp -172.3 148.29 2.09 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.862 -179.981 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -106.76 143.94 28.06 Favored Pre-proline 0 C--N 1.328 -0.331 0 CA-C-O 121.561 0.696 . . . . 0.0 110.891 179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.73 159.87 51.82 Favored 'Trans proline' 0 C--O 1.232 0.179 0 C-N-CA 122.733 2.288 . . . . 0.0 112.359 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 12.2 m-20 -72.31 -176.14 1.75 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.231 -0.44 . . . . 0.0 110.921 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 30.1 mt-10 -60.08 -42.82 95.41 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.9 -179.915 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 8.1 m-20 -93.89 22.25 5.85 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.92 -179.937 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 55.28 52.84 44.71 Favored Glycine 0 N--CA 1.451 -0.359 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.55 -179.966 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 12.1 mmt180 -121.76 132.71 54.76 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 120.829 0.347 . . . . 0.0 110.883 -179.858 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . 0.845 ' CZ ' HD13 ' A' ' 98' ' ' LEU . 68.6 m-85 -104.26 175.59 5.44 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.857 -179.922 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . . . . . . . . . . . -129.97 67.75 0.56 Allowed Glycine 0 N--CA 1.45 -0.37 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.471 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . . . . . . . . . 44.4 p90 -159.53 135.26 8.57 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.868 0.366 . . . . 0.0 110.853 -179.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . . . . . . . . . 6.4 m120 -98.68 153.44 18.7 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.11 -0.496 . . . . 0.0 110.869 -179.935 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 2.9 m -128.66 171.04 17.25 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.29 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.151 179.929 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . 0.408 ' CG ' ' O ' ' A' ' 44' ' ' ILE . 1.5 ptmm? -151.98 122.1 7.16 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.907 179.936 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 127.81 -165.5 20.82 Favored Glycine 0 N--CA 1.451 -0.323 0 C-N-CA 120.757 -0.735 . . . . 0.0 112.483 179.949 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 138.88 158.55 7.72 Favored Glycine 0 N--CA 1.451 -0.304 0 C-N-CA 120.72 -0.752 . . . . 0.0 112.459 -179.926 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . 0.459 ' CD1' ' C ' ' A' ' 37' ' ' TYR . 0.6 OUTLIER -42.43 -31.79 0.46 Allowed 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.877 0.37 . . . . 0.0 110.885 -179.779 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -49.96 -43.22 50.03 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.102 -0.499 . . . . 0.0 110.894 179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.483 ' O ' ' N ' ' A' ' 41' ' ' MET . 17.5 mm100 -110.23 34.05 4.12 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.89 -179.913 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.439 ' C ' ' O ' ' A' ' 39' ' ' GLN . 30.3 mmtp 35.0 32.45 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.219 -0.446 . . . . 0.0 110.934 179.952 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.483 ' N ' ' O ' ' A' ' 39' ' ' GLN . 25.8 ptm -122.62 152.62 62.11 Favored Pre-proline 0 C--N 1.328 -0.326 0 CA-C-O 121.538 0.685 . . . . 0.0 110.892 179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . 0.864 ' HG2' HD11 ' A' ' 44' ' ' ILE . 53.7 Cg_endo -69.79 169.94 17.79 Favored 'Trans proline' 0 C--N 1.341 0.163 0 C-N-CA 122.671 2.247 . . . . 0.0 112.342 179.983 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 83.9 t -91.56 102.3 13.37 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.115 179.913 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . 0.864 HD11 ' HG2' ' A' ' 42' ' ' PRO . 2.8 mp -107.97 143.29 18.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.339 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.154 179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 96.5 t -68.03 131.91 33.01 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.095 179.866 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . . . . . . . . . 74.6 p -93.73 -56.16 2.99 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.149 -0.478 . . . . 0.0 110.815 -179.819 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 8.9 tpp180 -141.95 160.13 40.83 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.13 -0.486 . . . . 0.0 110.892 -179.922 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . . . . . . . . . 44.9 t -134.81 119.08 26.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.115 179.994 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . . . . . . . . . . . -79.26 150.41 74.08 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.572 0.701 . . . . 0.0 111.115 179.885 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . 0.404 ' O ' HG23 ' A' ' 52' ' ' THR . 53.8 Cg_endo -69.75 169.65 18.4 Favored 'Trans proline' 0 C--N 1.341 0.173 0 C-N-CA 122.681 2.254 . . . . 0.0 112.349 -179.992 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 48.36 42.35 25.56 Favored Glycine 0 N--CA 1.451 -0.309 0 C-N-CA 120.71 -0.757 . . . . 0.0 112.516 179.988 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.404 HG23 ' O ' ' A' ' 50' ' ' PRO . 23.8 p -119.86 153.2 54.72 Favored Pre-proline 0 C--N 1.329 -0.299 0 CA-C-O 121.534 0.683 . . . . 0.0 111.163 -179.866 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.78 2.13 3.82 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.686 2.257 . . . . 0.0 112.373 179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -110.57 -13.94 14.15 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.199 -0.455 . . . . 0.0 111.112 179.893 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 13.1 t70 -100.87 -43.97 5.91 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 116.151 -0.477 . . . . 0.0 110.883 179.945 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 4.5 mt -74.68 -24.65 58.82 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.927 -179.948 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 20.4 p -66.03 161.27 21.94 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.917 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.519 HG13 ' HA ' ' A' ' 59' ' ' PRO . 67.2 t -128.42 134.37 26.2 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.672 0.749 . . . . 0.0 111.166 179.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.538 ' HG2' HD13 ' A' ' 19' ' ' ILE . 54.2 Cg_endo -69.74 143.03 72.68 Favored 'Cis proline' 0 C--N 1.341 0.166 0 C-N-CA 122.71 -1.787 . . . . 0.0 112.325 -0.022 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 43.1 ttt180 -55.92 129.71 40.74 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.857 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 36.7 tp -80.91 100.95 9.15 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.88 -179.947 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 11.0 m-80 -94.85 167.07 11.65 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.86 179.963 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 60.7 mt-10 -62.93 157.77 20.85 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.871 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . 0.457 ' O ' HG23 ' A' ' 44' ' ' ILE . . . 84.41 -22.74 8.18 Favored Glycine 0 N--CA 1.451 -0.335 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.492 -179.991 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -53.64 87.01 0.0 OUTLIER 'General case' 0 C--N 1.328 -0.334 0 CA-C-O 120.813 0.34 . . . . 0.0 110.837 -179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . 0.451 ' N ' ' O ' ' A' ' 64' ' ' GLY . 38.6 tt0 -67.23 115.74 7.24 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.926 -179.909 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 25.4 t -76.3 108.01 8.23 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.295 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.162 179.978 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . . . . . . . . . 38.6 t -71.9 -34.85 52.52 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.299 0 CA-C-N 116.177 -0.465 . . . . 0.0 111.151 179.919 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 74.6 mt -155.86 162.79 40.38 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.197 -0.456 . . . . 0.0 110.945 179.96 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.57 HG13 HD13 ' A' ' 75' ' ' ILE . 37.1 mt -130.89 114.08 26.26 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.329 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.102 179.823 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 3.2 m-20 57.74 34.56 24.59 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.161 -0.472 . . . . 0.0 110.88 179.923 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 64.43 37.86 95.02 Favored Glycine 0 N--CA 1.451 -0.336 0 C-N-CA 120.785 -0.721 . . . . 0.0 112.496 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . . . . . . . . . 12.2 mmm180 -136.46 135.67 38.82 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 120.768 0.318 . . . . 0.0 110.918 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 21.1 p-10 -58.11 119.74 7.36 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.213 -0.448 . . . . 0.0 110.891 179.957 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.57 HD13 HG13 ' A' ' 70' ' ' ILE . 5.1 pt -114.99 -28.68 2.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.216 -0.447 . . . . 0.0 111.122 179.999 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . 0.412 ' N ' HG13 ' A' ' 75' ' ' ILE . . . -47.7 -34.06 7.74 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.18 -0.464 . . . . 0.0 111.118 179.797 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 35.6 mt-10 -75.56 -26.33 57.87 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.847 -179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . . . . . . . . . 41.1 m-70 -76.86 155.95 32.55 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 116.19 -0.459 . . . . 0.0 110.884 179.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.607 ' O ' HG23 ' A' ' 83' ' ' VAL . 2.5 p -92.74 172.13 8.55 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.147 -179.921 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.583 ' O ' HG23 ' A' ' 84' ' ' VAL . 6.3 t60 -52.57 -54.64 30.16 Favored 'General case' 0 C--N 1.328 -0.344 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.841 179.944 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . . . . . . . . . 1.1 m-20 -52.46 -58.87 5.37 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.268 -0.423 . . . . 0.0 110.906 179.971 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.402 ' O ' ' C ' ' A' ' 83' ' ' VAL . 30.2 mm-40 -49.76 -63.47 1.1 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.207 -0.451 . . . . 0.0 110.895 -179.923 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.607 HG23 ' O ' ' A' ' 79' ' ' THR . 90.9 t -37.51 -58.69 0.19 Allowed 'Isoleucine or valine' 0 C--N 1.33 -0.279 0 CA-C-N 116.196 -0.456 . . . . 0.0 111.093 -179.989 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . 0.583 HG23 ' O ' ' A' ' 80' ' ' HIS . 94.1 t -44.24 -43.25 2.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.179 -0.464 . . . . 0.0 111.133 179.935 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . . . . . . . . . 4.5 mm? -74.34 -42.38 59.51 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.909 179.977 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . . . . . . . . . 29.9 t80 -53.61 -38.47 64.03 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.866 179.91 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . 0.609 HG23 HD11 ' A' ' 98' ' ' LEU . 12.2 mt -68.19 -44.32 84.26 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.303 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.154 179.973 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 69.4 mttm -62.93 -31.92 73.11 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.192 -0.458 . . . . 0.0 110.89 179.804 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . . . . . . . . . . . -51.61 -26.31 8.64 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.068 179.898 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 11.0 p -40.55 -35.37 0.45 Allowed 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.894 -179.805 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . . . . . . . . . 3.6 t -64.72 -54.42 31.72 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.112 -0.495 . . . . 0.0 110.866 -179.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . . . . . . . . . 3.0 pt-20 -66.23 -26.49 67.39 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.896 -179.865 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 62.6 mtt-85 -75.97 135.93 40.02 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.15 -0.477 . . . . 0.0 110.839 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . 0.434 ' O ' ' N ' ' A' ' 96' ' ' GLY . 12.3 t-80 -39.47 -66.62 0.28 Allowed 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 116.183 -0.462 . . . . 0.0 110.875 179.958 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 63.1 p -58.86 83.21 0.01 OUTLIER 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.869 -179.77 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . 0.434 ' N ' ' O ' ' A' ' 94' ' ' HIS . . . -46.41 -49.91 14.48 Favored Glycine 0 N--CA 1.452 -0.295 0 C-N-CA 120.722 -0.752 . . . . 0.0 112.489 -179.979 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . . . . . . . . . 25.4 pm0 -52.57 167.05 0.15 Allowed 'General case' 0 C--N 1.329 -0.301 0 CA-C-O 120.829 0.347 . . . . 0.0 110.906 -179.874 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.845 HD13 ' CZ ' ' A' ' 29' ' ' PHE . 5.7 tt -134.15 145.82 49.62 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.198 -0.455 . . . . 0.0 110.94 -179.956 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . 0.489 ' N ' HD23 ' A' ' 98' ' ' LEU . 24.1 ttm -133.08 144.97 50.34 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.196 -0.456 . . . . 0.0 110.873 179.818 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . . . . . . . . . 5.4 mt -135.09 152.48 51.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.933 179.997 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 21.1 tp -124.28 99.76 6.37 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.898 179.899 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . 0.438 HG23 ' CG1' ' A' ' 17' ' ' VAL . 11.1 m -109.48 171.98 2.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.308 0 CA-C-N 116.165 -0.471 . . . . 0.0 111.141 179.83 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.3 ttm180 -104.56 136.25 19.2 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.596 0.712 . . . . 0.0 110.879 -179.982 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.3 Cg_endo -69.78 161.0 47.62 Favored 'Trans proline' 0 C--N 1.341 0.171 0 C-N-CA 122.648 2.232 . . . . 0.0 112.361 -179.964 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 10.6 p-10 -114.17 69.96 0.72 Allowed 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.235 -0.439 . . . . 0.0 110.88 -179.973 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . -156.0 133.46 10.9 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.21 -0.45 . . . . 0.0 111.13 179.862 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 14.6 p -90.7 136.6 23.61 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.296 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.182 179.959 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . . . . . . . . . 34.8 p90 -52.19 163.95 0.34 Allowed 'General case' 0 C--N 1.328 -0.346 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.897 -179.908 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . . . . . . . . . 25.8 t0 -172.26 160.89 5.19 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.822 179.916 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 2.4 p -112.91 137.82 44.47 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.283 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.085 -179.989 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 59.2 t -103.33 136.83 34.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.277 0 CA-C-N 116.175 -0.466 . . . . 0.0 111.104 179.918 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -149.24 160.09 43.69 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.179 -0.464 . . . . 0.0 110.929 -179.964 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 1.6 pm0 -167.59 109.01 0.61 Allowed 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.908 -179.942 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 69.2 m -80.6 111.75 17.32 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.857 -179.811 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -125.31 -179.83 15.88 Favored Glycine 0 N--CA 1.451 -0.326 0 C-N-CA 120.743 -0.742 . . . . 0.0 112.473 179.995 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.0 Cg_endo -69.78 119.29 6.26 Favored 'Trans proline' 0 C--N 1.342 0.2 0 C-N-CA 122.686 2.257 . . . . 0.0 112.351 -179.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 3.0 m -56.38 109.92 0.69 Allowed 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 116.262 -0.426 . . . . 0.0 110.839 -179.85 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 51.5 p -82.89 160.17 22.2 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.846 -179.822 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.452 -0.281 0 C-N-CA 120.726 -0.749 . . . . 0.0 112.496 -179.955 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.315 0 N-CA-C 112.437 -0.265 . . . . 0.0 112.437 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 36.2 p -165.0 113.88 1.06 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 120.872 0.368 . . . . 0.0 110.883 -179.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' SER . . . . . . . . . . . . . 6.8 t -171.13 153.07 3.61 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.871 -179.806 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' GLY . . . . . . . . . . . . . . . -173.61 172.0 44.91 Favored Glycine 0 N--CA 1.452 -0.278 0 C-N-CA 120.711 -0.756 . . . . 0.0 112.468 -179.98 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 80.2 p -77.94 155.64 30.73 Favored 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.876 0.369 . . . . 0.0 110.918 -179.803 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' SER . . . . . . . . . . . . . 4.3 m -126.88 41.94 3.42 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-N 116.178 -0.464 . . . . 0.0 110.874 -179.837 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' GLY . . . . . . . . . . . . . . . 102.14 147.91 20.23 Favored Glycine 0 N--CA 1.451 -0.318 0 C-N-CA 120.755 -0.736 . . . . 0.0 112.474 179.978 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ASN . . . . . . . . . . . . . 8.2 m-80 -140.95 152.98 45.41 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 120.903 0.382 . . . . 0.0 110.875 -179.826 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' GLY . . . . . . . . . . . . . . . 97.39 -177.37 32.14 Favored Glycine 0 N--CA 1.452 -0.281 0 C-N-CA 120.735 -0.745 . . . . 0.0 112.486 179.963 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLY . . . . . . . . . . . . . . . -99.99 -164.16 28.88 Favored Glycine 0 N--CA 1.452 -0.285 0 C-N-CA 120.758 -0.734 . . . . 0.0 112.534 -179.952 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ILE . . . . . . . . . . . . . 1.3 pt -60.99 143.87 91.36 Favored Pre-proline 0 C--N 1.328 -0.332 0 CA-C-O 121.66 0.743 . . . . 0.0 111.089 -179.975 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' PRO . . . . . . . . . . . . . 53.7 Cg_endo -69.78 120.12 6.95 Favored 'Trans proline' 0 C--N 1.342 0.228 0 C-N-CA 122.646 2.231 . . . . 0.0 112.34 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' HIS . . . . . . . . . . . . . 2.7 t-160 -88.79 -59.65 2.17 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.862 179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ASP . . . . . . . . . . . . . 3.8 p30 -44.3 136.67 3.92 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.853 -179.984 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' ASN . . . . . . . . . . . . . 26.6 p30 -79.46 46.06 0.71 Allowed 'General case' 0 C--N 1.328 -0.331 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.885 -179.905 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LEU . . . . . . . . . . . . . 8.6 mt -73.92 154.89 39.19 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.914 179.973 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' VAL . . . . . . . . . . . . . 40.1 t -98.45 137.62 25.44 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.263 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.134 179.849 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' LEU . . . . . . . . . . . . . 11.7 tp -114.36 132.92 56.04 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.94 179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' ILE . . . . . 0.52 HD13 ' HG2' ' A' ' 59' ' ' PRO . 7.9 mm -103.2 124.97 57.69 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.333 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.158 179.842 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' ARG . . . . . . . . . . . . . 35.9 mtp180 -128.0 121.53 30.02 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.162 -0.472 . . . . 0.0 110.891 179.949 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -152.51 161.82 42.06 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.176 -0.465 . . . . 0.0 110.878 179.977 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -109.98 152.33 42.98 Favored Pre-proline 0 C--N 1.329 -0.322 0 CA-C-O 121.576 0.703 . . . . 0.0 110.919 179.922 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.72 128.89 16.72 Favored 'Trans proline' 0 C--O 1.231 0.148 0 C-N-CA 122.768 2.312 . . . . 0.0 112.328 179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' ASP . . . . . . . . . . . . . 22.2 t70 -44.39 167.61 0.01 OUTLIER 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.885 179.908 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' GLU . . . . . . . . . . . . . 4.1 tp10 -48.81 -43.32 38.22 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.905 -179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' ASN . . . . . . . . . . . . . 10.6 m120 -84.24 -23.62 30.36 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-N 116.165 -0.471 . . . . 0.0 110.852 -179.945 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' GLY . . . . . . . . . . . . . . . 102.03 53.66 0.95 Allowed Glycine 0 N--CA 1.451 -0.339 0 C-N-CA 120.791 -0.718 . . . . 0.0 112.476 179.959 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' ARG . . . . . . . . . . . . . 11.1 ptm180 -143.8 128.13 17.81 Favored 'General case' 0 C--N 1.329 -0.283 0 CA-C-O 120.902 0.382 . . . . 0.0 110.85 -179.844 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' PHE . . . . . . . . . . . . . 92.1 m-85 -84.68 -176.6 6.3 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.87 -179.938 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' GLY . . . . . 0.529 ' HA3' HG21 ' A' ' 52' ' ' THR . . . -132.08 63.57 0.62 Allowed Glycine 0 N--CA 1.451 -0.311 0 C-N-CA 120.713 -0.756 . . . . 0.0 112.47 -179.968 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' PHE . . . . . 0.507 ' CD1' ' O ' ' A' ' 31' ' ' PHE . 4.3 p90 -161.41 129.74 4.35 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.893 0.377 . . . . 0.0 110.892 -179.905 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' ASN . . . . . 0.413 ' CB ' ' HB3' ' A' ' 46' ' ' SER . 11.0 m120 -98.9 168.84 9.86 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.132 -0.486 . . . . 0.0 110.854 -179.883 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' VAL . . . . . . . . . . . . . 32.9 m -140.89 158.14 23.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.156 -0.475 . . . . 0.0 111.096 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' LYS . . . . . . . . . . . . . 11.3 pttp -149.74 134.75 17.94 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.924 179.885 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' GLY . . . . . . . . . . . . . . . 117.41 -154.33 16.76 Favored Glycine 0 N--CA 1.451 -0.349 0 C-N-CA 120.744 -0.741 . . . . 0.0 112.497 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' GLY . . . . . . . . . . . . . . . 115.09 170.9 16.5 Favored Glycine 0 N--CA 1.451 -0.355 0 C-N-CA 120.733 -0.746 . . . . 0.0 112.514 -179.895 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' TYR . . . . . . . . . . . . . 13.7 t80 -49.04 -29.07 4.55 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.943 0.401 . . . . 0.0 110.892 -179.788 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' ASP . . . . . . . . . . . . . 7.1 t0 -54.93 -33.46 62.21 Favored 'General case' 0 C--N 1.329 -0.296 0 CA-C-N 116.113 -0.494 . . . . 0.0 110.88 179.939 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' GLN . . . . . 0.428 ' O ' ' N ' ' A' ' 41' ' ' MET . 10.3 mt-30 -123.28 30.71 6.21 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.221 -0.445 . . . . 0.0 110.835 -179.876 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' LYS . . . . . 0.405 ' N ' ' HD3' ' A' ' 40' ' ' LYS . 0.0 OUTLIER 38.92 29.51 0.03 OUTLIER 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.902 179.956 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' MET . . . . . 0.428 ' N ' ' O ' ' A' ' 39' ' ' GLN . 15.2 ptm -123.59 153.06 66.14 Favored Pre-proline 0 C--N 1.329 -0.3 0 CA-C-O 121.545 0.688 . . . . 0.0 110.904 179.84 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_endo -69.75 150.64 68.51 Favored 'Trans proline' 0 C--N 1.341 0.151 0 C-N-CA 122.655 2.236 . . . . 0.0 112.376 179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' VAL . . . . . . . . . . . . . 43.6 t -86.73 104.34 13.89 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.324 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.137 179.916 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ILE . . . . . . . . . . . . . 4.3 mp -115.8 147.68 19.03 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.143 -0.48 . . . . 0.0 111.134 179.913 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' VAL . . . . . . . . . . . . . 69.6 t -51.21 131.74 12.22 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.176 -0.466 . . . . 0.0 111.112 179.882 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' SER . . . . . 0.413 ' HB3' ' CB ' ' A' ' 32' ' ' ASN . 35.3 t -86.66 -63.94 1.23 Allowed 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.846 -179.845 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' ARG . . . . . . . . . . . . . 11.2 ttp180 -145.98 162.56 37.55 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.87 -179.907 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' VAL . . . . . 0.446 HG12 ' N ' ' A' ' 49' ' ' ALA . 46.2 t -137.71 155.4 30.67 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.289 0 CA-C-N 116.203 -0.453 . . . . 0.0 111.113 179.992 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' ALA . . . . . 0.446 ' N ' HG12 ' A' ' 48' ' ' VAL . . . -134.7 148.32 66.74 Favored Pre-proline 0 C--N 1.329 -0.296 0 CA-C-O 121.6 0.714 . . . . 0.0 111.143 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.73 164.6 33.89 Favored 'Trans proline' 0 C--N 1.342 0.188 0 C-N-CA 122.674 2.249 . . . . 0.0 112.348 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLY . . . . . . . . . . . . . . . 79.96 -5.63 61.69 Favored Glycine 0 N--CA 1.451 -0.332 0 C-N-CA 120.752 -0.737 . . . . 0.0 112.485 179.96 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' THR . . . . . 0.529 HG21 ' HA3' ' A' ' 30' ' ' GLY . 37.5 p -95.29 152.31 39.28 Favored Pre-proline 0 C--N 1.33 -0.253 0 CA-C-O 121.578 0.704 . . . . 0.0 111.142 -179.911 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' PRO . . . . . . . . . . . . . 53.2 Cg_endo -69.81 3.74 2.62 Favored 'Trans proline' 0 C--N 1.341 0.161 0 C-N-CA 122.68 2.253 . . . . 0.0 112.293 179.953 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' ALA . . . . . . . . . . . . . . . -107.45 -24.36 11.85 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.243 -0.435 . . . . 0.0 111.06 179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' ASP . . . . . . . . . . . . . 2.5 t70 -94.37 -11.94 28.92 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.222 -0.445 . . . . 0.0 110.874 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' LEU . . . . . . . . . . . . . 30.9 mt -105.05 -37.07 7.08 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.86 -179.919 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' CYS . . . . . . . . . . . . . 23.5 p -53.94 170.16 0.14 Allowed 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.207 -0.452 . . . . 0.0 110.907 179.926 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' VAL . . . . . 0.516 ' HA ' ' C ' ' A' ' 59' ' ' PRO . 59.4 t -140.91 133.66 14.41 Favored Pre-proline 0 C--N 1.33 -0.28 0 CA-C-O 121.665 0.745 . . . . 0.0 111.128 -179.999 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' PRO . . . . . 0.52 ' HG2' HD13 ' A' ' 19' ' ' ILE . 53.9 Cg_endo -69.74 133.68 26.52 Favored 'Cis proline' 0 C--N 1.341 0.178 0 C-N-CA 122.719 -1.784 . . . . 0.0 112.339 -0.084 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ARG . . . . . . . . . . . . . 41.2 ttp180 -54.17 146.98 13.86 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 116.195 -0.457 . . . . 0.0 110.869 -179.987 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' LEU . . . . . . . . . . . . . 14.0 tp -100.49 102.4 13.57 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.186 -0.461 . . . . 0.0 110.865 -179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' ASN . . . . . . . . . . . . . 19.8 m120 -110.35 168.89 9.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.907 179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' GLU . . . . . . . . . . . . . 39.9 mt-10 -51.48 146.9 6.69 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.232 -0.44 . . . . 0.0 110.91 179.979 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' GLY . . . . . . . . . . . . . . . 102.27 -44.24 1.55 Allowed Glycine 0 N--CA 1.452 -0.244 0 C-N-CA 120.736 -0.745 . . . . 0.0 112.462 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' ASP . . . . . . . . . . . . . 47.3 m-20 -49.49 95.24 0.01 OUTLIER 'General case' 0 C--N 1.329 -0.323 0 CA-C-O 120.715 0.293 . . . . 0.0 110.82 -179.927 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' GLN . . . . . . . . . . . . . 20.4 tt0 -73.8 127.54 33.1 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.877 -179.912 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' VAL . . . . . . . . . . . . . 49.8 t -77.16 107.78 9.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.294 0 CA-C-N 116.156 -0.474 . . . . 0.0 111.097 179.995 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' VAL . . . . . 0.477 HG12 ' HG ' ' A' ' 69' ' ' LEU . 47.5 t -79.23 -44.32 24.1 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.285 0 CA-C-N 116.186 -0.461 . . . . 0.0 111.161 179.865 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.477 ' HG ' HG12 ' A' ' 68' ' ' VAL . 34.6 mt -148.99 165.1 32.63 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.884 180.0 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' ILE . . . . . 0.69 HD12 HG21 ' A' ' 75' ' ' ILE . 31.0 mt -126.05 113.2 33.09 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 CA-C-N 116.139 -0.482 . . . . 0.0 111.118 179.821 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ASN . . . . . . . . . . . . . 33.6 m-80 53.61 41.58 32.05 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.144 -0.48 . . . . 0.0 110.88 179.917 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' GLY . . . . . . . . . . . . . . . 83.45 -36.25 2.79 Favored Glycine 0 N--CA 1.452 -0.252 0 C-N-CA 120.718 -0.753 . . . . 0.0 112.481 179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' ARG . . . . . 0.555 ' HD3' ' CE2' ' A' ' 86' ' ' PHE . 4.9 ptm180 -78.81 157.62 28.36 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-O 120.788 0.328 . . . . 0.0 110.896 -179.879 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' ASP . . . . . . . . . . . . . 1.7 p30 -95.72 148.84 22.13 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.827 -179.974 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' ILE . . . . . 0.69 HG21 HD12 ' A' ' 70' ' ' ILE . 2.8 pp -130.92 20.52 1.88 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.31 0 CA-C-N 116.204 -0.453 . . . . 0.0 111.133 179.983 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ALA . . . . . . . . . . . . . . . -71.97 -29.91 64.74 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.102 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' GLU . . . . . . . . . . . . . 13.7 tp10 -70.82 -30.97 67.55 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-N 116.172 -0.467 . . . . 0.0 110.891 -179.925 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' HIS . . . . . 0.6 ' CD2' ' CD ' ' A' ' 82' ' ' GLN . 12.0 m170 -79.19 173.04 12.98 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.121 -0.491 . . . . 0.0 110.864 179.997 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' THR . . . . . 0.403 ' O ' ' C ' ' A' ' 80' ' ' HIS . 53.4 p -108.94 161.3 15.27 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.154 -179.899 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' HIS . . . . . 0.559 ' C ' ' CD2' ' A' ' 80' ' ' HIS . 1.3 t60 -38.01 -49.14 1.25 Allowed 'General case' 0 C--N 1.329 -0.29 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.83 179.932 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' ASP . . . . . 0.619 ' O ' HD23 ' A' ' 85' ' ' LEU . 1.6 m-20 -51.58 -59.96 3.68 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-N 116.213 -0.449 . . . . 0.0 110.856 -179.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' GLN . . . . . 0.6 ' CD ' ' CD2' ' A' ' 78' ' ' HIS . 51.4 mt-30 -51.54 -65.53 0.54 Allowed 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.858 -179.914 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' VAL . . . . . 0.432 ' C ' ' O ' ' A' ' 82' ' ' GLN . 66.4 t -35.11 -61.75 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 CA-C-N 116.263 -0.426 . . . . 0.0 111.117 -179.972 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' VAL . . . . . . . . . . . . . 96.6 t -49.28 -43.69 16.82 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.271 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.104 179.948 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' LEU . . . . . 0.619 HD23 ' O ' ' A' ' 81' ' ' ASP . 4.3 mm? -64.67 -42.96 95.01 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.193 -0.458 . . . . 0.0 110.962 179.958 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PHE . . . . . 0.555 ' CE2' ' HD3' ' A' ' 73' ' ' ARG . 23.7 t80 -61.55 -55.23 33.11 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.888 179.927 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' ILE . . . . . . . . . . . . . 47.4 mt -50.5 -55.41 6.39 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.159 -0.473 . . . . 0.0 111.106 179.962 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LYS . . . . . . . . . . . . . 0.3 OUTLIER -60.39 -31.9 70.8 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.904 179.859 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' ALA . . . . . 0.466 ' HB3' ' O ' ' A' ' 86' ' ' PHE . . . -57.84 -33.94 69.17 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.089 179.838 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' SER . . . . . . . . . . . . . 3.8 t -47.43 -39.22 15.08 Favored 'General case' 0 C--N 1.33 -0.281 0 CA-C-N 116.22 -0.446 . . . . 0.0 110.857 -179.773 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' CYS . . . . . 0.418 ' O ' ' C ' ' A' ' 92' ' ' GLU . 77.8 m -61.5 -44.29 97.33 Favored 'General case' 0 C--N 1.328 -0.334 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.865 -179.953 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' GLU . . . . . 0.418 ' C ' ' O ' ' A' ' 91' ' ' CYS . 34.7 mt-10 -36.15 -40.69 0.23 Allowed 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.214 -0.448 . . . . 0.0 110.903 -179.851 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -113.97 139.48 49.2 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.878 -179.934 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' HIS . . . . . . . . . . . . . 72.4 t60 -64.26 -56.52 14.03 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.852 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' SER . . . . . . . . . . . . . 42.3 t -69.95 122.55 19.53 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 116.265 -0.425 . . . . 0.0 110.857 -179.785 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' GLY . . . . . . . . . . . . . . . 135.32 65.34 0.06 OUTLIER Glycine 0 N--CA 1.451 -0.324 0 C-N-CA 120.727 -0.749 . . . . 0.0 112.496 -179.994 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' GLU . . . . . 0.413 ' CD ' ' H ' ' A' ' 97' ' ' GLU . 5.8 mp0 -49.55 159.25 0.36 Allowed 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 120.895 0.379 . . . . 0.0 110.87 -179.878 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' LEU . . . . . 0.527 HD11 HD21 ' A' ' 100' ' ' LEU . 0.3 OUTLIER -90.98 118.86 30.7 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 116.12 -0.491 . . . . 0.0 110.959 -179.995 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' MET . . . . . . . . . . . . . 16.8 mtt -125.29 118.79 26.75 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.208 -0.451 . . . . 0.0 110.849 179.874 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' LEU . . . . . 0.527 HD21 HD11 ' A' ' 98' ' ' LEU . 20.6 mt -125.25 131.43 53.12 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.897 -179.979 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' LEU . . . . . . . . . . . . . 15.0 tp -101.27 105.22 16.29 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.159 -0.473 . . . . 0.0 110.914 179.889 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' VAL . . . . . . . . . . . . . 31.1 m -107.48 152.09 9.23 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.281 0 CA-C-N 116.15 -0.477 . . . . 0.0 111.138 179.825 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 3.0 mmm180 -90.56 126.12 57.27 Favored Pre-proline 0 C--N 1.329 -0.304 0 CA-C-O 121.608 0.718 . . . . 0.0 110.87 -179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' PRO . . . . . . . . . . . . . 53.8 Cg_endo -69.71 132.84 24.25 Favored 'Trans proline' 0 C--N 1.341 0.165 0 C-N-CA 122.675 2.25 . . . . 0.0 112.332 179.977 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' ASN . . . . . . . . . . . . . 7.9 p30 -109.52 73.91 0.87 Allowed 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.194 -0.457 . . . . 0.0 110.891 179.996 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ALA . . . . . . . . . . . . . . . 62.6 28.22 16.55 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 116.162 -0.472 . . . . 0.0 111.056 179.832 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 107' ' ' VAL . . . . . . . . . . . . . 59.4 t -65.03 144.96 14.31 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 116.208 -0.451 . . . . 0.0 111.109 -179.99 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 108' ' ' TYR . . . . . 0.418 ' CD1' ' N ' ' A' ' 108' ' ' TYR . 3.2 p90 -121.76 168.9 11.29 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.184 -0.462 . . . . 0.0 110.909 -179.892 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 109' ' ' ASP . . . . . 0.403 ' C ' ' O ' ' A' ' 108' ' ' TYR . 37.9 t70 -38.06 106.07 0.05 OUTLIER 'General case' 0 C--N 1.328 -0.339 0 CA-C-N 116.105 -0.498 . . . . 0.0 110.868 179.92 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 110' ' ' VAL . . . . . . . . . . . . . 97.0 t -91.26 103.81 14.86 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.219 -0.446 . . . . 0.0 111.15 179.982 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 111' ' ' VAL . . . . . . . . . . . . . 77.3 t -111.57 84.96 0.75 Allowed 'Isoleucine or valine' 0 C--N 1.329 -0.292 0 CA-C-N 116.163 -0.471 . . . . 0.0 111.06 179.955 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 112' ' ' GLU . . . . . . . . . . . . . 21.5 mt-10 -126.9 161.61 27.89 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.167 -0.469 . . . . 0.0 110.899 179.961 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 113' ' ' GLU . . . . . . . . . . . . . 15.8 tp10 -169.42 107.39 0.4 Allowed 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.904 -179.918 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 114' ' ' SER . . . . . . . . . . . . . 37.3 m -139.72 148.68 42.66 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.128 -0.487 . . . . 0.0 110.845 -179.77 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 115' ' ' GLY . . . . . . . . . . . . . . . -137.78 75.78 0.37 Allowed Glycine 0 N--CA 1.451 -0.317 0 C-N-CA 120.742 -0.742 . . . . 0.0 112.478 -179.992 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 116' ' ' PRO . . . . . . . . . . . . . 54.1 Cg_endo -69.74 -169.51 0.33 Allowed 'Trans proline' 0 C--N 1.341 0.177 0 C-N-CA 122.693 2.262 . . . . 0.0 112.337 -179.944 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 117' ' ' SER . . . . . . . . . . . . . 1.8 m -160.98 172.94 16.01 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-N 116.227 -0.442 . . . . 0.0 110.911 -179.884 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 118' ' ' SER . . . . . . . . . . . . . 78.2 p -156.46 161.71 40.04 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.171 -0.468 . . . . 0.0 110.86 -179.853 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 119' ' ' GLY . . . . . . . . . . . . . . . . . . . . 0 N--CA 1.451 -0.324 0 C-N-CA 120.739 -0.743 . . . . 0.0 112.469 179.996 . . . . . . . . 0 0 . 1 stop_ save_