data_2hg6_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 2hg6 _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 ' 2' ' ' SER . . . . . . . . . . . . . 23.2 m . . . . . 0 C--O 1.234 0.244 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 . . . . . . . . . 0 0 . 1 . 001 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.526 HD13 ' HB ' ' A' ' 89' ' ' VAL . 39.4 mm -70.71 136.6 25.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.806 0.336 . . . . 0.0 110.242 -177.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.45 HG22 ' HG3' ' A' ' 86' ' ' PRO . 41.5 p -93.1 -179.99 5.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.729 -175.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -81.56 -170.6 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.863 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.9 m -51.52 -23.73 4.41 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.324 0.65 . . . . 0.0 112.307 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -52.39 -20.28 2.7 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 122.607 0.363 . . . . 0.0 111.732 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.537 HD13 ' HB2' ' A' ' 90' ' ' TYR . 17.0 tt -53.24 -33.89 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.1 175.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.2 t -65.78 -38.31 88.66 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.161 0.505 . . . . 0.0 110.744 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.448 ' HA ' ' OE1' ' A' ' 10' ' ' GLN . 11.9 mm-40 -74.08 -33.41 63.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.9 -177.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.69 -15.73 53.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.802 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.75 -15.77 61.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.996 0.427 . . . . 0.0 110.932 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -84.27 -19.8 33.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.477 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.87 -28.47 68.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.45 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 mp -62.04 128.73 37.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.166 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -132.41 147.96 52.4 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.882 0.372 . . . . 0.0 111.21 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.94 154.88 7.84 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.245 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -110.62 116.86 32.08 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.465 ' HB ' HG22 ' A' ' 30' ' ' VAL . 8.4 p -97.69 133.34 39.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-O 120.888 0.375 . . . . 0.0 110.474 -177.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.41 151.87 24.01 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.044 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -89.9 113.6 25.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.706 0.288 . . . . 0.0 110.322 -177.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -94.11 134.61 36.36 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.41 ' HD3' ' OD1' ' A' ' 40' ' ' ASP . 4.8 ptm180 -83.2 -4.98 58.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.341 -177.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -75.23 -46.64 32.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.926 0.393 . . . . 0.0 110.649 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.5 p -105.99 -12.47 15.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.63 47.54 48.63 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.584 178.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.532 ' HG3' HG21 ' A' ' 29' ' ' ILE . 5.7 ptp180 -149.65 161.92 41.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.128 0.489 . . . . 0.0 111.476 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -86.25 106.15 17.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.403 -178.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.532 HG21 ' HG3' ' A' ' 27' ' ' ARG . 2.7 pp -117.86 155.45 19.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.781 0.324 . . . . 0.0 111.617 -173.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.465 HG22 ' HB ' ' A' ' 19' ' ' VAL . 52.1 t -104.9 129.06 58.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.946 0.403 . . . . 0.0 111.479 -177.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 60.9 mmt-85 -126.85 169.5 13.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.687 175.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -114.18 0.52 14.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.175 0.512 . . . . 0.0 110.462 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.8 m -121.21 112.03 18.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.411 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.73 -23.08 63.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.289 0.566 . . . . 0.0 110.327 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -80.82 -0.43 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.861 -176.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 76.2 p -78.59 -23.22 46.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.797 0.332 . . . . 0.0 111.417 -174.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -107.05 130.48 54.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.22 -175.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.69 -109.68 2.93 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.03 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -95.43 -3.58 46.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.972 0.415 . . . . 0.0 110.774 -176.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.41 ' OD1' ' HD3' ' A' ' 23' ' ' ARG . 10.4 m-20 -80.07 -13.48 59.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.578 -178.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.1 t -134.59 131.63 54.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.231 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.55 126.74 30.46 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 175.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -66.0 -23.57 66.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.0 0.429 . . . . 0.0 111.084 -175.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -68.52 -22.6 64.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.896 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.7 m -89.83 -3.97 57.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.075 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.3 mt -94.44 116.47 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.4 m -141.6 134.74 14.29 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.856 -176.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -59.09 123.85 14.38 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.432 2.088 . . . . 0.0 111.09 172.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.588 HG21 HD23 ' A' ' 81' ' ' LEU . 11.9 t -60.55 -18.15 50.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.504 -178.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.2 m -59.31 -40.35 85.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.99 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -107.11 -7.82 16.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.191 0.519 . . . . 0.0 110.448 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -65.83 -31.44 72.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.826 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.53 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 28.7 m -76.89 -11.37 13.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.746 -177.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -95.9 123.12 39.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.657 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.3 m -111.11 107.75 17.21 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.124 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.476 ' HA ' ' HA ' ' A' ' 62' ' ' MET . 0.6 OUTLIER -73.28 117.66 15.29 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.244 0.545 . . . . 0.0 110.932 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.477 HG12 ' HD3' ' A' ' 63' ' ' ARG . 29.3 m -99.84 -22.95 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.49 0.662 . . . . 0.0 110.178 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.561 ' HB2' ' HB ' ' A' ' 61' ' ' VAL . 3.9 mpt_? -122.63 -168.22 1.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 169.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -63.43 -62.84 1.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.745 0.307 . . . . 0.0 111.036 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.598 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 19.8 m-20 -106.5 7.53 30.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.521 -175.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.561 ' HB ' ' HB2' ' A' ' 58' ' ' ARG . 18.5 t -105.44 108.72 25.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.748 0.308 . . . . 0.0 110.526 -178.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.476 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 69.1 mtm -109.16 141.91 40.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.477 ' HD3' HG12 ' A' ' 57' ' ' VAL . 76.2 mtp180 -110.96 136.09 50.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.512 175.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.49 ' HB2' ' HB ' ' A' ' 99' ' ' ILE . 0.5 OUTLIER -76.76 113.99 15.02 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.785 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.76 99.5 2.49 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.493 ' HA ' HD13 ' A' ' 69' ' ' LEU . 26.4 ptt180 -68.78 -15.3 63.47 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.39 -0.476 . . . . 0.0 111.905 -175.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -63.42 -23.11 67.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.664 0.269 . . . . 0.0 110.885 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.733 HE21 ' HA ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -60.35 -31.11 70.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.074 0.464 . . . . 0.0 110.305 177.433 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.493 HD13 ' HA ' ' A' ' 66' ' ' ARG . 9.9 mp -62.31 -27.64 69.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.057 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.452 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 23.1 mt-30 -66.38 -29.19 69.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.928 0.394 . . . . 0.0 110.641 178.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 63.8 mt -69.75 -32.89 53.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.415 0.626 . . . . 0.0 109.541 176.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 44.8 mt -75.22 -31.37 60.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.532 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.452 ' HB3' ' O ' ' A' ' 70' ' ' GLN . 56.9 tp -60.73 -32.38 71.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.395 175.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 31.4 mm-40 -60.66 -35.68 76.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.318 175.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -77.46 -34.28 54.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.486 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 68.33 15.97 9.27 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.32 0.581 . . . . 0.0 111.504 172.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.424 ' O ' HD12 ' A' ' 77' ' ' ILE . 1.3 pp -111.05 86.92 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.854 0.835 . . . . 0.0 111.423 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.54 ' HA ' HD11 ' A' ' 83' ' ' ILE . 18.8 m120 -71.76 -38.96 70.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.977 -173.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -79.72 -29.63 40.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.017 0.437 . . . . 0.0 110.636 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -66.82 -47.62 71.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.334 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.588 HD23 HG21 ' A' ' 49' ' ' THR . 51.4 mt -77.76 -20.16 53.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.102 177.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 62.5 t30 64.82 62.47 0.75 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.478 0.656 . . . . 0.0 110.491 -176.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.54 HD11 ' HA ' ' A' ' 78' ' ' ASN . 3.9 mp -80.13 118.49 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.644 175.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.519 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -62.33 155.82 39.31 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.724 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.4 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 45.0 mt-10 -63.52 -42.94 76.69 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 111.714 0.265 . . . . 0.0 111.714 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.45 ' HG3' HG22 ' A' ' 4' ' ' THR . 76.2 Cg_exo -52.74 -28.21 37.12 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 122.089 1.859 . . . . 0.0 112.255 170.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 0.9 OUTLIER -77.35 -37.9 51.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.118 179.149 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.56 -41.75 99.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.728 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.526 ' HB ' HD13 ' A' ' 3' ' ' ILE . 30.6 m -74.86 -32.61 28.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.784 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.537 ' HB2' HD13 ' A' ' 8' ' ' ILE . 9.3 t80 -62.99 -25.78 68.54 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.222 0.534 . . . . 0.0 111.056 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.428 ' O ' HD21 ' A' ' 91' ' ' LEU . 8.0 tt -64.55 -25.34 67.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.569 176.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -100.58 -70.38 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.278 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.507 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 46.1 mtp180 -125.42 -175.1 3.23 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.723 ' HG3' ' HA ' ' A' ' 97' ' ' PRO . 1.0 OUTLIER -153.21 158.37 41.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.4 0.619 . . . . 0.0 112.533 -174.431 . . . . . . . . 3 3 . 1 . 001 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -89.94 -58.36 2.54 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 169.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -86.48 120.79 72.27 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 167.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.723 ' HA ' ' HG3' ' A' ' 94' ' ' GLN . 74.9 Cg_exo -48.21 -56.63 2.94 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.883 2.389 . . . . 0.0 111.563 -177.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -127.7 124.7 38.49 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.379 172.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.49 ' HB ' ' HB2' ' A' ' 64' ' ' LEU . 65.7 mt -71.93 110.46 5.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -111.12 129.84 55.81 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.012 -175.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -124.49 120.81 33.07 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.21 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.598 ' HA ' ' O ' ' A' ' 60' ' ' ASP . 12.1 pt20 . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.191 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.455 -0.213 0 CA-C-O 120.698 0.285 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 002 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.409 HG21 ' CB ' ' A' ' 95' ' ' ASP . 33.3 mm -88.05 146.75 5.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.549 ' HG1' ' HB ' ' A' ' 8' ' ' ILE . 33.3 p -91.46 -178.25 5.05 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.168 0.509 . . . . 0.0 111.772 -172.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.408 ' O ' HG23 ' A' ' 8' ' ' ILE . 31.7 t -80.62 -169.55 2.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.541 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.7 m -50.18 -21.19 1.23 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.538 0.735 . . . . 0.0 111.692 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -51.36 -24.18 4.48 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.174 175.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.581 HD13 ' HB2' ' A' ' 90' ' ' TYR . 16.3 tt -59.96 -39.45 80.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-O 120.878 0.371 . . . . 0.0 110.81 177.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.8 t -74.83 -28.63 60.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.275 0.559 . . . . 0.0 110.035 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -73.95 -36.25 64.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.177 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.75 -15.63 63.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.876 -177.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.6 -16.55 64.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.008 0.432 . . . . 0.0 110.822 177.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -79.39 -18.5 52.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.165 0.507 . . . . 0.0 110.563 177.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.46 -21.59 61.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.25 -178.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.52 ' HB3' HG23 ' A' ' 49' ' ' THR . 9.3 mp -64.15 116.87 6.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.31 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -124.7 145.1 49.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.861 -176.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 129.86 158.88 9.59 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.865 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -111.49 117.64 33.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.058 0.456 . . . . 0.0 110.152 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.561 HG11 ' CD1' ' A' ' 28' ' ' TYR . 8.7 t -95.53 135.62 29.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.961 -177.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.53 148.8 20.77 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.469 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -85.73 125.05 32.92 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.453 ' OD1' ' HG2' ' A' ' 24' ' ' LYS . 41.3 t30 -107.12 113.75 27.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.182 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -58.1 -35.84 72.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.714 -175.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.453 ' HG2' ' OD1' ' A' ' 22' ' ' ASN . 21.0 ptmt -77.38 -16.36 58.9 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.929 -173.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 p -103.24 -26.43 12.98 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.981 0.419 . . . . 0.0 110.689 175.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.46 21.31 72.93 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.789 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -140.67 167.72 21.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.02 0.438 . . . . 0.0 110.976 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.561 ' CD1' HG11 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -83.89 125.36 31.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.61 172.139 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 pp -117.84 153.66 19.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.452 HG12 HD13 ' A' ' 81' ' ' LEU . 10.5 t -118.74 132.33 68.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.762 0.315 . . . . 0.0 110.368 -178.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -124.21 156.65 36.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.992 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -82.07 -34.17 29.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.155 0.502 . . . . 0.0 109.955 -177.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.0 t -107.9 124.01 49.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.301 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.97 -16.57 63.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.325 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -77.21 -7.42 55.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.815 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.3 m -87.35 -8.56 56.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.814 -175.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -80.76 128.87 34.14 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.36 -175.25 41.95 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.645 -177.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.7 ttt -69.87 -13.23 62.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.327 0.584 . . . . 0.0 110.522 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -80.67 -7.98 59.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.108 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.0 t -112.55 139.14 38.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.415 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.65 137.19 45.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.695 0.283 . . . . 0.0 110.963 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -62.57 -44.68 95.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.341 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.37 -8.19 48.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.708 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.1 t -78.7 -30.58 46.1 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.3 mt -66.14 108.27 0.95 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.08 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.5 m -135.2 124.64 16.44 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.347 -177.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -53.39 132.46 48.59 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.429 2.086 . . . . 0.0 111.141 174.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.52 HG23 ' HB3' ' A' ' 15' ' ' LEU . 8.8 t -63.82 -17.34 63.02 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -174.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.43 ' O ' HG22 ' A' ' 53' ' ' VAL . 9.5 p -71.49 -50.86 27.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.992 0.425 . . . . 0.0 110.217 175.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -72.71 -23.02 60.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.64 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -56.49 -37.59 70.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.675 -177.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 50' ' ' SER . 22.6 m -80.89 -18.66 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.714 0.292 . . . . 0.0 111.622 -175.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -79.27 120.22 23.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.99 0.424 . . . . 0.0 110.33 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.489 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . 2.6 m -110.34 104.04 12.77 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.921 -178.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.0 m -76.04 115.14 15.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.735 -177.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.0 m -108.06 2.26 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.144 0.497 . . . . 0.0 110.446 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.475 ' HG3' ' H ' ' A' ' 59' ' ' ASP . 13.9 tpp180 -160.75 -174.5 4.46 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.475 ' H ' ' HG3' ' A' ' 58' ' ' ARG . 2.5 m-20 -49.45 -62.87 1.31 Allowed 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.082 0.553 . . . . 0.0 111.426 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -114.73 -17.0 11.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.982 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.452 ' HB ' ' HB3' ' A' ' 58' ' ' ARG . 48.4 t -71.97 108.5 3.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.137 0.494 . . . . 0.0 110.775 -178.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 67.8 mtm -116.98 145.06 43.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.967 177.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.489 ' HG3' ' HB2' ' A' ' 55' ' ' SER . 5.4 ptp180 -113.47 144.49 42.73 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 175.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.542 ' HB2' ' HB ' ' A' ' 99' ' ' ILE . 0.6 OUTLIER -73.84 110.59 8.25 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 174.622 . . . . . . . . 3 3 . 1 . 002 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.89 105.68 2.78 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.107 -177.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -25.49 63.84 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 122.594 -0.356 . . . . 0.0 111.115 177.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -66.41 -22.89 66.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.308 0.575 . . . . 0.0 110.37 177.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -71.09 -33.92 70.64 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.74 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.7 mt -64.57 -27.8 69.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.809 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.485 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 15.4 mm100 -56.91 -34.87 68.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.785 178.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 55.7 mt -75.07 -35.99 36.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.316 0.579 . . . . 0.0 110.594 178.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.2 mt -75.19 -30.1 60.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.86 -175.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.5 pp -66.79 -25.28 66.39 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.105 -177.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -71.76 -3.22 20.75 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.609 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.44 ' C ' ' H ' ' A' ' 77' ' ' ILE . 69.4 mm-40 -84.11 -26.89 28.58 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 172.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 71.96 -34.15 0.29 Allowed 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.181 0.992 . . . . 0.0 112.285 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.44 ' H ' ' C ' ' A' ' 75' ' ' GLN . 6.7 pt -80.5 46.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 122.881 0.472 . . . . 0.0 111.734 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -51.66 -39.72 58.69 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -178.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.63 -44.64 81.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.086 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.418 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 29.9 ttt180 -68.52 -40.66 80.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.458 0.646 . . . . 0.0 110.527 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.452 HD13 HG12 ' A' ' 30' ' ' VAL . 20.7 tp -72.03 -8.41 54.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.573 179.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.2 t30 69.68 39.45 1.51 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.419 172.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.42 129.53 37.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.62 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -58.83 143.24 45.42 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.876 -177.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.537 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 39.8 mt-10 -60.22 -46.07 97.76 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.537 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 50.5 Cg_exo -57.28 -17.64 27.09 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.181 1.921 . . . . 0.0 112.64 174.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.62 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.5 mm? -76.54 -30.5 57.13 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.47 ' O ' ' HG3' ' A' ' 92' ' ' ARG . 9.0 mp -70.69 -45.03 65.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.367 176.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.466 HG22 ' HA ' ' A' ' 86' ' ' PRO . 23.1 m -66.44 -32.98 60.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.558 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.581 ' HB2' HD13 ' A' ' 8' ' ' ILE . 59.4 t80 -57.66 -40.62 79.74 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.02 0.438 . . . . 0.0 110.553 175.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 tt -69.61 -41.33 75.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.727 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 88' ' ' LEU . 80.0 mtp180 -67.91 -44.34 77.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.906 -178.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.402 ' HB3' HD12 ' A' ' 3' ' ' ILE . 43.1 ttt180 -149.6 113.59 5.13 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.157 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -88.43 96.8 10.74 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.451 0.643 . . . . 0.0 110.682 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.409 ' CB ' HG21 ' A' ' 3' ' ' ILE . 24.3 t70 -54.51 -49.16 70.86 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.349 174.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 97.3 mt -102.1 122.16 47.95 Favored Pre-proline 0 C--N 1.318 -0.791 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 168.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.5 -38.69 54.57 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.602 2.201 . . . . 0.0 111.916 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -150.15 120.01 7.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.631 176.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.542 ' HB ' ' HB2' ' A' ' 64' ' ' LEU . 73.4 mt -73.28 106.74 3.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 176.14 . . . . . . . . 2 2 . 1 . 002 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.9 p -101.61 133.6 46.04 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.241 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.91 130.98 40.35 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.731 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.429 173.906 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 120.687 0.28 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 003 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 39.2 mm -68.92 134.86 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.16 0.505 . . . . 0.0 110.932 -177.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.469 ' HG1' ' HB ' ' A' ' 8' ' ' ILE . 54.4 p -92.96 178.02 5.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.125 -178.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 m -82.53 -169.64 2.55 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.488 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 m -50.68 -22.49 2.09 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.256 0.623 . . . . 0.0 112.22 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -52.39 -22.11 4.31 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 122.834 0.454 . . . . 0.0 111.514 177.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.469 ' HB ' ' HG1' ' A' ' 4' ' ' THR . 14.6 tt -55.05 -41.06 57.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 122.514 0.326 . . . . 0.0 111.534 179.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.442 ' HB3' ' HH2' ' A' ' 54' ' ' TRP . 58.7 m -70.41 -35.01 73.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.247 0.546 . . . . 0.0 110.329 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -74.58 -32.99 62.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.765 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.81 -25.86 68.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.032 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.44 ' HB3' HD11 ' A' ' 87' ' ' LEU . . . -69.11 -18.75 64.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.179 0.514 . . . . 0.0 110.725 176.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -85.28 -5.11 59.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.467 0.651 . . . . 0.0 110.034 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.08 -2.86 56.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.61 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.422 ' HB3' HG21 ' A' ' 49' ' ' THR . 85.2 mt -68.39 141.04 55.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.674 177.046 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -125.75 145.13 50.33 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.56 -176.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.66 161.17 17.73 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.457 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -111.66 157.2 20.73 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.6 t -120.67 134.39 64.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.13 152.6 24.66 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.957 -178.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -85.89 120.57 27.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.055 0.455 . . . . 0.0 110.509 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.516 HD21 ' HE1' ' A' ' 37' ' ' PHE . 28.1 t-20 -109.56 128.3 55.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.843 177.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 23' ' ' ARG . 7.2 ptp180 -69.84 -24.24 63.42 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -174.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -78.27 -38.32 42.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.917 0.389 . . . . 0.0 110.281 -177.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.5 p -81.56 -26.37 35.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.13 0.491 . . . . 0.0 110.048 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . 0.438 ' O ' ' HD2' ' A' ' 27' ' ' ARG . . . 75.09 9.84 84.06 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.247 178.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 27' ' ' ARG . 14.1 mmm180 -129.74 160.04 34.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.017 0.437 . . . . 0.0 110.768 -176.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -79.0 101.66 7.91 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 171.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.527 HG21 HE22 ' A' ' 75' ' ' GLN . 2.8 pp -116.66 159.14 16.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.099 0.476 . . . . 0.0 112.106 -167.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.478 HG12 ' HG3' ' A' ' 75' ' ' GLN . 34.3 m -83.27 148.55 5.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.947 -179.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -147.02 132.82 18.97 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -103.29 16.04 27.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.138 0.495 . . . . 0.0 110.337 -177.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.432 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 12.2 m -134.03 115.28 14.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.142 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.444 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 2.3 mp0 -66.33 -38.34 87.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.269 0.557 . . . . 0.0 110.06 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -71.62 -1.07 12.35 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.288 -177.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.432 ' HB2' ' HB2' ' A' ' 33' ' ' SER . 23.2 t -70.54 -23.86 62.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.308 179.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.534 ' HB3' ' HB ' ' A' ' 41' ' ' VAL . 83.7 m-85 -134.3 100.43 4.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.641 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.32 -111.58 3.61 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.955 178.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.6 mtm -80.6 74.92 7.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.0 0.428 . . . . 0.0 110.284 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -172.3 -41.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.671 -176.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.534 ' HB ' ' HB3' ' A' ' 37' ' ' PHE . 58.5 t -128.63 136.65 59.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.573 177.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.33 132.65 46.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.073 0.463 . . . . 0.0 111.58 -177.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.69 -19.81 65.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.149 176.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -68.44 -25.92 65.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.632 175.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.4 t -80.06 -37.06 34.67 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.445 HD12 ' HB2' ' A' ' 37' ' ' PHE . 60.7 mt -66.0 115.72 4.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.82 177.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.0 m -123.18 127.89 25.48 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.97 -176.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.44 132.55 46.82 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.547 2.165 . . . . 0.0 111.381 175.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.422 HG21 ' HB3' ' A' ' 15' ' ' LEU . 8.8 t -65.11 -19.36 65.95 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -173.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.3 p -82.16 -11.62 58.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.765 0.317 . . . . 0.0 111.496 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -115.5 -24.37 8.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.186 0.517 . . . . 0.0 110.409 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -64.45 -18.52 64.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.388 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.6 m -83.7 -7.63 10.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.665 -175.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.442 ' HH2' ' HB3' ' A' ' 9' ' ' CYS . 97.8 m95 -105.61 122.88 46.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.965 0.412 . . . . 0.0 111.246 -178.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.5 m -109.77 125.28 52.53 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.981 174.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.6 m -76.96 115.57 16.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.964 0.411 . . . . 0.0 110.999 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.3 m -105.76 4.2 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.303 0.573 . . . . 0.0 110.352 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.563 ' HB3' ' HB ' ' A' ' 61' ' ' VAL . 9.2 tpt180 -169.28 174.61 6.01 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.455 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 4.7 m-20 -39.82 -63.8 0.55 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.2 0.6 . . . . 0.0 112.324 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.469 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 12.8 m-20 -123.33 23.42 9.05 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -178.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.563 ' HB ' ' HB3' ' A' ' 58' ' ' ARG . 21.4 t -106.47 109.53 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 177.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -109.37 135.93 49.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -104.55 145.2 30.64 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.65 119.18 20.83 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 173.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.674 ' O ' ' HG3' ' A' ' 68' ' ' GLN . . . -99.7 119.69 6.6 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.394 -0.907 . . . . 0.0 112.513 -177.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.19 -13.23 59.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.861 0.362 . . . . 0.0 111.428 177.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -58.61 -29.46 66.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.597 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.674 ' HG3' ' O ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -65.6 -31.25 72.18 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-O 120.746 0.308 . . . . 0.0 110.335 178.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.544 ' HG ' ' OE1' ' A' ' 68' ' ' GLN . 31.8 mt -65.57 -41.04 93.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.42 177.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.55 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 14.8 mm100 -63.94 -34.43 77.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.622 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.6 mt -75.5 -46.13 38.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.018 177.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 36.8 mt -66.63 -25.82 66.77 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -175.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.5 pp -66.24 -25.59 66.96 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.23 -39.1 93.67 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-O 121.041 0.448 . . . . 0.0 110.0 174.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.527 HE22 HG21 ' A' ' 29' ' ' ILE . 29.6 mm-40 -72.54 -49.66 31.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.578 176.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 74.39 -11.08 1.05 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.07 172.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.8 pp -79.25 68.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.706 0.765 . . . . 0.0 112.169 -177.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.573 ' HA ' HD11 ' A' ' 83' ' ' ILE . 4.8 p-10 -63.83 -29.43 70.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.657 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -72.72 -34.33 67.02 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.698 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -84.16 -50.04 8.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.841 -174.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.492 HD21 HD13 ' A' ' 83' ' ' ILE . 14.9 tp -80.11 -11.29 59.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.679 -177.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.68 43.86 1.75 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.956 176.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.573 HD11 ' HA ' ' A' ' 78' ' ' ASN . 2.5 mp -58.88 122.23 8.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 175.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.508 ' HA3' HD23 ' A' ' 87' ' ' LEU . . . -65.82 157.37 48.44 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.536 -0.757 . . . . 0.0 113.268 -174.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.539 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 21.1 mt-10 -67.98 -45.26 41.84 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 115.366 -0.417 . . . . 0.0 111.438 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.539 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 50.4 Cg_exo -57.46 -26.2 70.21 Favored 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 121.859 1.706 . . . . 0.0 111.722 171.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.508 HD23 ' HA3' ' A' ' 84' ' ' GLY . 3.7 mm? -74.16 -31.91 62.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.172 0.51 . . . . 0.0 109.74 178.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.08 -39.88 75.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.522 177.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.471 HG21 ' O ' ' A' ' 86' ' ' PRO . 9.0 m -71.36 -31.31 43.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.716 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -54.37 -42.7 70.62 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.05 0.453 . . . . 0.0 110.012 175.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.511 HD13 ' HB3' ' A' ' 69' ' ' LEU . 9.0 tt -65.8 -33.15 75.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.585 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 67.2 mtp85 -64.47 -57.15 10.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.69 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -175.64 128.22 0.25 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.574 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -118.08 144.53 45.55 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.739 172.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -65.02 -43.13 93.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.104 0.478 . . . . 0.0 110.294 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.7 mt -104.03 128.8 26.43 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.831 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -64.04 -40.92 24.79 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.551 2.167 . . . . 0.0 111.551 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -114.1 101.32 9.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.517 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 49.2 mt -84.08 105.44 13.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 174.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.2 p -98.02 130.06 44.86 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.944 -174.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -122.98 120.87 34.64 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.483 -0.78 . . . . 0.0 108.972 175.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' A' ' 60' ' ' ASP . 20.0 pt20 . . . . . 0 C--N 1.32 -0.679 0 CA-C-O 121.513 0.673 . . . . 0.0 111.944 -175.465 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 004 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.4 mm -68.7 134.75 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.289 0.566 . . . . 0.0 111.139 -174.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.6 p -93.11 -175.48 3.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.497 -176.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -85.77 -170.4 3.09 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.241 177.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.7 m -50.65 -21.83 1.76 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.454 0.701 . . . . 0.0 112.153 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -51.19 -22.38 2.58 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 176.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.551 ' HA ' ' HB2' ' A' ' 86' ' ' PRO . 18.6 tt -59.51 -37.37 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 120.926 0.393 . . . . 0.0 110.84 177.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.6 t -74.72 -33.85 62.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.335 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -72.92 -43.27 62.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.965 -176.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.82 -31.95 73.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.832 0.348 . . . . 0.0 111.265 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.51 -14.75 63.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.38 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -88.84 -23.0 22.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.097 0.475 . . . . 0.0 110.537 177.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.59 4.26 40.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.442 -176.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.48 ' O ' ' HB2' ' A' ' 50' ' ' SER . 55.2 mt -71.64 129.37 38.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.101 179.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -131.75 141.16 49.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.129 0.49 . . . . 0.0 111.07 -177.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 137.25 151.52 5.96 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 -175.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -116.27 117.49 30.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 117.635 0.718 . . . . 0.0 111.048 -175.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.58 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 10.7 p -108.76 127.31 65.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.878 -178.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -138.83 169.86 24.23 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.76 -173.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -92.65 113.72 26.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.954 0.407 . . . . 0.0 110.671 -177.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.475 ' HA ' HG22 ' A' ' 41' ' ' VAL . 2.8 t-20 -92.19 100.8 13.34 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 176.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -75.63 -14.98 60.39 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.785 -171.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -62.15 -37.57 85.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.472 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.6 t -100.67 -26.32 13.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.982 0.42 . . . . 0.0 110.426 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.56 24.21 34.08 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.847 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -127.66 162.35 26.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.063 0.459 . . . . 0.0 111.018 -177.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.422 ' CE2' HG23 ' A' ' 19' ' ' VAL . 11.4 t80 -100.76 111.75 24.03 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 pp -127.19 158.91 38.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.861 0.362 . . . . 0.0 111.675 -170.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.58 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 11.2 p -105.28 143.47 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.379 0.609 . . . . 0.0 111.645 -174.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.504 ' HE ' ' HA ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -132.4 161.42 33.68 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 174.268 . . . . . . . . 3 3 . 1 . 004 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -79.33 -40.44 30.29 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.223 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.8 p -109.22 138.77 45.07 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.539 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -70.45 -37.96 74.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.171 0.51 . . . . 0.0 111.349 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -85.48 17.7 3.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.153 -173.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.472 ' OG ' ' HG2' ' A' ' 31' ' ' ARG . 54.4 p -98.06 -11.25 23.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.151 0.501 . . . . 0.0 109.817 174.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.487 ' HB3' ' HB ' ' A' ' 41' ' ' VAL . 56.6 m-85 -71.68 145.13 49.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.818 175.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.0 -168.02 36.15 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.019 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -68.44 -3.79 12.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.642 0.258 . . . . 0.0 111.627 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -76.25 -45.76 31.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.058 0.456 . . . . 0.0 110.035 176.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.487 ' HB ' ' HB3' ' A' ' 37' ' ' PHE . 57.9 t -82.38 129.99 36.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.016 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.32 143.59 35.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.742 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -59.12 -37.41 77.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.389 0.614 . . . . 0.0 110.505 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -68.3 -21.55 64.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.813 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.441 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 14.9 m -92.26 1.97 56.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.24 -177.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.4 mt -96.35 123.76 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.753 0.311 . . . . 0.0 110.223 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 56.9 m -143.04 130.97 11.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.533 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -59.14 140.38 94.74 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.349 2.033 . . . . 0.0 111.171 174.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.0 t -61.25 -25.56 67.16 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -174.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.48 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 33.1 t -69.65 -44.73 69.97 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -79.0 -6.79 57.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.213 0.53 . . . . 0.0 110.174 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -81.19 -29.03 34.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.253 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.7 m -89.89 -25.35 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 110.554 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -92.2 114.57 27.15 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.1 0.476 . . . . 0.0 109.819 174.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 t -90.67 109.59 20.77 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.417 ' HA ' ' HG2' ' A' ' 62' ' ' MET . 7.2 m -76.69 113.68 14.6 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.7 m -101.31 -13.4 8.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.44 0.638 . . . . 0.0 109.668 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.522 ' HB3' ' HB ' ' A' ' 61' ' ' VAL . 8.0 tpt180 -153.3 167.44 29.35 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.4 -45.48 80.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.875 0.369 . . . . 0.0 111.367 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.63 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 15.2 p-10 -105.02 -7.36 19.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.791 -176.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.522 ' HB ' ' HB3' ' A' ' 58' ' ' ARG . 42.8 t -116.34 117.51 55.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.221 0.534 . . . . 0.0 111.487 -176.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.417 ' HG2' ' HA ' ' A' ' 56' ' ' SER . 52.5 mtt -126.17 162.74 24.69 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 175.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.465 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 8.8 ptm85 -137.51 152.88 49.97 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.856 177.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.61 128.02 35.27 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.437 ' O ' ' HG2' ' A' ' 68' ' ' GLN . . . -113.94 129.09 8.58 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.755 177.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.48 ' HB3' ' CE2' ' A' ' 90' ' ' TYR . 9.7 ptp180 -71.73 -31.15 66.39 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 122.148 -0.619 . . . . 0.0 111.801 179.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.486 ' HA ' ' CG ' ' A' ' 70' ' ' GLN . 43.1 mt-10 -63.31 -22.75 67.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.363 0.601 . . . . 0.0 110.84 -177.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 65' ' ' GLY . 5.8 mm100 -63.66 -42.39 98.08 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.135 177.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.645 HD23 HD13 ' A' ' 72' ' ' LEU . 93.3 mt -73.36 -28.58 62.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.661 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.565 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 12.9 mm100 -62.33 -28.23 69.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.076 0.465 . . . . 0.0 110.289 177.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 64.8 mt -75.46 -38.22 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.18 0.514 . . . . 0.0 110.553 175.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.645 HD13 HD23 ' A' ' 69' ' ' LEU . 93.5 mt -72.31 -25.44 61.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.044 -174.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.4 pp -64.8 -22.66 67.03 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.114 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -53.56 -37.57 63.03 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.897 0.38 . . . . 0.0 111.029 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.561 ' HB3' HG13 ' A' ' 77' ' ' ILE . 26.5 mp0 -83.05 -33.04 26.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 70.8 2.23 4.08 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.611 0.764 . . . . 0.0 112.494 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.561 HG13 ' HB3' ' A' ' 75' ' ' GLN . 1.8 pp -90.73 60.41 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.497 0.665 . . . . 0.0 111.615 -178.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -60.19 -27.83 67.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.759 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -67.46 -36.53 81.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.426 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -77.97 -43.0 31.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.01 -178.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.501 ' HB3' HD13 ' A' ' 83' ' ' ILE . 89.5 mt -68.51 -20.84 64.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.989 177.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.404 HD21 ' HA ' ' A' ' 82' ' ' ASN . 7.8 m120 69.58 23.82 5.78 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.387 -178.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.501 HD13 ' HB3' ' A' ' 81' ' ' LEU . 1.4 mp -59.22 126.12 16.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.705 175.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.553 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -83.03 177.19 53.24 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.724 -0.671 . . . . 0.0 113.885 -171.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.558 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 40.8 mt-10 -63.02 -48.07 85.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.502 -0.349 . . . . 0.0 111.635 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 85' ' ' GLU . 11.8 Cg_endo -56.84 -22.16 44.06 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 122.119 1.879 . . . . 0.0 111.755 173.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.553 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.0 mm? -79.08 -34.67 43.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.067 179.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.6 mp -70.15 -43.3 71.17 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.556 175.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.495 HG22 ' HA ' ' A' ' 86' ' ' PRO . 10.5 m -67.95 -31.85 53.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.612 -177.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.519 ' HB2' HD11 ' A' ' 8' ' ' ILE . 75.8 t80 -59.41 -37.13 77.22 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.451 176.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.502 HD23 ' HB2' ' A' ' 69' ' ' LEU . 89.0 mt -67.31 -33.85 76.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.383 177.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 89' ' ' VAL . 19.4 mmm180 -63.94 -58.58 6.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.854 175.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -161.68 173.98 13.93 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -140.85 133.25 28.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.269 0.557 . . . . 0.0 110.901 175.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -82.05 -42.67 18.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.462 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -83.95 119.1 72.96 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.613 177.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.88 -53.12 1.38 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 111.616 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -106.6 100.89 10.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.811 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.406 HD13 ' CE1' ' A' ' 90' ' ' TYR . 51.3 mt -99.56 105.14 17.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 172.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.465 ' HA ' ' HA ' ' A' ' 63' ' ' ARG . 20.6 p -125.1 161.3 27.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.733 -176.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -126.95 119.62 27.16 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.646 176.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.63 ' HA ' ' O ' ' A' ' 60' ' ' ASP . 13.5 pt20 . . . . . 0 C--N 1.319 -0.748 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.726 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 005 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.417 HD11 ' HB ' ' A' ' 89' ' ' VAL . 43.5 mm -68.65 134.85 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.468 ' HG1' ' HB ' ' A' ' 8' ' ' ILE . 59.5 p -91.2 173.21 8.05 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.735 -176.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 t -74.73 -171.89 1.41 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.119 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.4 m -54.36 -22.12 11.38 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.101 0.56 . . . . 0.0 111.926 -177.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -52.18 -19.82 2.21 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.96 0.504 . . . . 0.0 111.571 176.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.539 HD12 ' HB2' ' A' ' 90' ' ' TYR . 15.2 tt -52.71 -34.52 19.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.66 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.9 p -74.65 -29.24 61.19 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.841 0.353 . . . . 0.0 110.943 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -69.63 -34.67 74.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.162 0.506 . . . . 0.0 110.63 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.34 -15.7 62.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.435 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.536 ' HB2' HG21 ' A' ' 53' ' ' VAL . . . -71.34 -17.76 62.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.961 0.41 . . . . 0.0 111.274 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -83.28 -5.44 59.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.91 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.1 -3.13 58.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.988 0.423 . . . . 0.0 111.052 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.539 ' O ' ' HB2' ' A' ' 50' ' ' SER . 9.7 mp -82.83 122.65 28.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.094 178.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -120.51 138.46 53.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.042 0.449 . . . . 0.0 110.663 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 141.98 166.03 10.72 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.384 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.477 ' HB3' ' CG2' ' A' ' 46' ' ' ILE . 85.4 m-85 -122.41 117.58 26.35 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.046 0.451 . . . . 0.0 110.279 -177.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.467 HG22 ' HB ' ' A' ' 49' ' ' THR . 43.5 t -95.81 130.92 43.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.755 -178.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.21 158.84 23.8 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.369 -0.92 . . . . 0.0 111.959 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -94.27 112.56 24.36 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.756 0.313 . . . . 0.0 110.206 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.517 ' HB2' HG12 ' A' ' 29' ' ' ILE . 26.8 t-20 -83.51 104.05 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 176.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -69.22 -29.29 67.21 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.827 -173.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.409 ' HE3' ' HB2' ' A' ' 24' ' ' LYS . 37.5 ttmt -62.52 -51.46 67.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.655 0.264 . . . . 0.0 110.856 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.0 p -79.29 -23.51 43.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.92 0.391 . . . . 0.0 110.776 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.36 29.78 35.69 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.597 176.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.37 166.29 33.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.008 0.432 . . . . 0.0 111.593 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -75.57 137.46 40.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.807 -178.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.517 HG12 ' HB2' ' A' ' 22' ' ' ASN . 2.5 pp -126.93 153.75 36.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.461 177.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.2 t -105.92 120.42 56.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.96 0.41 . . . . 0.0 110.578 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.499 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 3.8 mmp_? -109.99 132.08 54.48 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 175.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.513 ' CZ ' ' HG2' ' A' ' 80' ' ' ARG . 98.9 m-85 -87.19 -13.79 42.97 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.427 0.632 . . . . 0.0 109.938 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.411 ' HB2' ' OG ' ' A' ' 36' ' ' SER . 9.8 m -129.96 129.0 43.22 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.579 172.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.98 -12.9 61.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.979 0.419 . . . . 0.0 110.653 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -86.79 -4.23 59.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.736 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.411 ' OG ' ' HB2' ' A' ' 33' ' ' SER . 15.6 m -90.26 26.92 1.78 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.013 0.435 . . . . 0.0 111.023 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 11.3 p90 -91.49 -169.65 2.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.829 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.37 -161.31 9.99 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.185 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.9 ptp -76.51 -18.32 58.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.086 0.469 . . . . 0.0 110.094 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -84.32 -58.77 2.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.862 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.8 t -76.11 102.91 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.179 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.17 142.22 52.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.19 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -74.47 -6.83 50.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.091 0.472 . . . . 0.0 110.578 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -86.58 -12.52 48.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.505 0.669 . . . . 0.0 109.635 174.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.3 m -101.02 16.67 24.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.251 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.477 ' CG2' ' HB3' ' A' ' 18' ' ' PHE . 68.3 mt -112.25 135.43 51.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.422 -177.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 47' ' ' THR . . . . . 0.404 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 90.6 m -140.71 130.06 13.07 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.615 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 8.8 Cg_endo -51.24 132.98 40.93 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.921 2.414 . . . . 0.0 111.73 176.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.467 ' HB ' HG22 ' A' ' 19' ' ' VAL . 11.7 t -64.25 -27.86 69.34 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -172.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.631 ' O ' HG23 ' A' ' 53' ' ' VAL . 23.0 t -67.92 -45.09 75.34 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -76.81 -14.93 59.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.358 0.599 . . . . 0.0 110.121 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -73.15 -30.19 63.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.465 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 50' ' ' SER . 4.2 m -81.96 -18.87 11.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.105 0.478 . . . . 0.0 110.252 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -87.86 127.37 35.34 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.218 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.3 m -107.73 102.21 11.45 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.886 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.507 ' HA ' ' HG2' ' A' ' 62' ' ' MET . 16.4 m -74.32 114.51 12.76 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 177.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.5 m -124.8 0.49 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.873 0.368 . . . . 0.0 111.458 -175.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -157.41 162.85 39.01 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -178.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.83 -46.88 84.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.435 0.636 . . . . 0.0 110.73 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -104.72 -31.65 9.25 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.082 -175.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 20.0 t -102.85 126.33 57.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.889 -171.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.507 ' HG2' ' HA ' ' A' ' 56' ' ' SER . 69.4 mtm -124.81 153.54 42.35 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 172.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.511 ' HB3' HG23 ' A' ' 100' ' ' THR . 51.2 ptt85 -127.7 166.94 17.18 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.04 -178.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.6 128.51 34.78 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 176.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.459 ' O ' ' HG3' ' A' ' 68' ' ' GLN . . . -93.45 132.56 11.28 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.603 -178.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.487 ' HD2' ' CE2' ' A' ' 90' ' ' TYR . 9.7 mmm180 -70.31 -20.22 63.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.798 0.332 . . . . 0.0 110.531 175.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -53.62 -45.91 70.27 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.375 -174.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.581 ' NE2' ' HG ' ' A' ' 69' ' ' LEU . 2.8 pp0? -51.93 -33.94 39.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.998 -0.547 . . . . 0.0 112.467 -179.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.581 ' HG ' ' NE2' ' A' ' 68' ' ' GLN . 82.9 mt -59.44 -36.37 75.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.789 0.328 . . . . 0.0 111.3 -177.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.819 HE21 ' HA ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -65.01 -42.46 94.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.686 -173.615 . . . . . . . . 3 3 . 1 . 005 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.0 mt -76.27 -36.65 30.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.004 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 61.5 mt -72.31 -31.54 65.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.072 -176.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.5 pp -63.25 -24.35 67.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.608 0.242 . . . . 0.0 111.466 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.74 -22.6 64.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.938 0.399 . . . . 0.0 110.869 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -118.34 97.83 5.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.287 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -89.04 9.46 25.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.505 -175.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.425 HD11 ' HB2' ' A' ' 81' ' ' LEU . 1.4 pp -75.55 68.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.774 0.797 . . . . 0.0 110.838 176.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -59.77 -39.4 84.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.653 -174.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -59.09 -29.03 67.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.054 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.513 ' HG2' ' CZ ' ' A' ' 32' ' ' PHE . 38.4 ttm180 -93.54 -47.81 6.66 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.207 0.527 . . . . 0.0 110.824 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.425 ' HB2' HD11 ' A' ' 77' ' ' ILE . 13.0 tp -70.51 -21.06 62.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.161 -172.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.8 m120 69.08 31.04 4.22 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 173.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 mp -72.91 130.3 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.486 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -68.73 158.32 52.85 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.922 -177.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.542 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 5.5 mp0 -61.21 -48.22 92.31 Favored Pre-proline 0 CA--C 1.538 0.507 0 N-CA-C 111.679 0.252 . . . . 0.0 111.679 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.542 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 32.2 Cg_exo -60.6 -19.63 61.0 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 122.001 1.801 . . . . 0.0 112.193 175.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.7 mm? -76.38 -23.51 54.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.125 0.488 . . . . 0.0 109.936 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.5 mt -73.68 -40.87 63.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.523 177.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.417 ' HB ' HD11 ' A' ' 3' ' ' ILE . 26.8 m -71.79 -29.7 34.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.707 178.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.539 ' HB2' HD12 ' A' ' 8' ' ' ILE . 44.4 t80 -51.58 -28.34 13.71 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.281 176.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.485 HD21 HD12 ' A' ' 69' ' ' LEU . 59.3 mt -63.34 -32.85 74.39 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.055 0.455 . . . . 0.0 111.109 175.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.0 mtp180 -88.18 -44.6 10.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.567 -177.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -167.1 160.88 14.32 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 176.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.503 ' HB2' HD12 ' A' ' 99' ' ' ILE . 14.9 pt20 -112.06 156.55 22.02 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.406 176.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.57 -71.9 0.14 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.182 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.2 mt -81.4 148.93 64.14 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.899 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.29 -39.31 91.67 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.382 2.055 . . . . 0.0 110.951 174.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -129.42 102.6 6.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.08 171.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.503 HD12 ' HB2' ' A' ' 94' ' ' GLN . 52.9 mt -81.66 110.58 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.991 0.424 . . . . 0.0 110.315 -178.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.511 HG23 ' HB3' ' A' ' 63' ' ' ARG . 24.2 p -122.58 153.2 39.59 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.878 -176.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.4 120.28 21.8 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.32 171.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 . . . . . 0 C--N 1.317 -0.81 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.236 -174.515 . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.4 m . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 120.682 0.277 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 006 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.479 HD11 ' O ' ' A' ' 93' ' ' ARG . 47.1 mm -87.21 156.11 3.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 177.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.502 ' HG1' ' HB ' ' A' ' 8' ' ' ILE . 32.2 p -90.9 -175.85 4.48 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.016 0.436 . . . . 0.0 111.757 -174.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.541 ' O ' HG22 ' A' ' 8' ' ' ILE . 12.1 t -80.24 -170.17 2.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.29 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.3 m -50.83 -22.56 2.23 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.623 0.769 . . . . 0.0 112.152 -176.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.1 -26.76 11.93 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.758 176.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.581 HD13 ' HB2' ' A' ' 90' ' ' TYR . 10.6 tt -63.79 -42.51 96.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 120.9 0.381 . . . . 0.0 110.364 177.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.8 m -74.33 -33.38 63.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.14 0.495 . . . . 0.0 109.989 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -66.75 -44.36 81.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.665 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.08 -34.29 77.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.166 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.401 ' HB1' HD12 ' A' ' 87' ' ' LEU . . . -65.58 -31.03 71.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.16 0.505 . . . . 0.0 110.859 178.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -87.61 -15.14 38.16 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.316 0.579 . . . . 0.0 110.498 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.55 7.31 46.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.144 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' A' ' 83' ' ' ILE . 84.6 mt -65.54 124.85 23.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.229 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HE2' ' HB3' ' A' ' 16' ' ' LYS . 16.5 ptpt -103.18 145.93 29.18 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.451 -177.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.64 168.55 15.43 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.14 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -118.27 165.17 14.15 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.885 0.374 . . . . 0.0 110.38 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 12.8 p -146.64 144.16 20.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 109.2 -0.666 . . . . 0.0 109.2 178.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.8 172.35 29.74 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.197 -177.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -104.84 118.56 36.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.7 0.286 . . . . 0.0 110.527 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -84.28 97.88 9.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 175.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.454 ' HD3' ' OD1' ' A' ' 40' ' ' ASP . 5.1 ptm180 -64.57 -17.62 64.12 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.997 -1.002 . . . . 0.0 112.495 -173.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -90.11 -28.77 18.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.614 0.245 . . . . 0.0 111.424 -175.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.3 p -96.26 -25.9 15.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.992 0.425 . . . . 0.0 110.677 176.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.2 24.48 40.36 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.526 176.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.1 ptm85 -131.64 155.45 47.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.071 0.462 . . . . 0.0 111.115 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -99.73 115.38 29.38 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.416 HD11 ' O ' ' A' ' 29' ' ' ILE . 2.7 pp -125.48 150.95 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.144 0.497 . . . . 0.0 112.331 -170.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 29.0 m -86.88 150.64 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.732 178.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.542 ' HE ' ' HA ' ' A' ' 31' ' ' ARG . 1.8 tpm_? -138.52 131.55 29.79 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.694 -178.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -87.29 -37.22 17.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.04 0.448 . . . . 0.0 110.157 -178.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.7 m -95.95 109.98 22.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.405 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -61.54 -23.51 66.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 -177.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -75.23 -9.83 58.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.036 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.478 ' HB2' ' HD3' ' A' ' 31' ' ' ARG . 20.6 m -78.49 58.49 2.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.189 0.519 . . . . 0.0 111.667 -176.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -143.54 168.85 18.89 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 176.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.95 -146.24 5.44 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.304 -0.951 . . . . 0.0 112.56 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.5 mtp -87.76 -21.48 25.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.217 0.532 . . . . 0.0 109.818 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.454 ' OD1' ' HD3' ' A' ' 23' ' ' ARG . 12.1 t70 -75.62 -41.56 54.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.134 178.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.6 t -84.75 128.25 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.352 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.57 145.68 38.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.022 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.9 -35.46 80.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.446 0.641 . . . . 0.0 109.705 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.8 -14.87 63.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.638 -176.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.7 t -76.26 -32.94 59.12 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.3 mt -73.47 107.8 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.259 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.0 m -122.38 131.15 24.43 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.348 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -55.33 133.4 57.86 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.117 1.878 . . . . 0.0 110.778 172.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.461 ' O ' HG11 ' A' ' 53' ' ' VAL . 7.1 t -58.72 -31.99 68.78 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -176.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 p -73.68 -25.0 60.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.966 0.412 . . . . 0.0 111.216 178.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -87.58 -21.15 25.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.214 0.53 . . . . 0.0 110.016 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -77.02 -29.28 55.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.214 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.461 HG11 ' O ' ' A' ' 49' ' ' THR . 13.0 m -79.39 -15.4 13.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.829 0.347 . . . . 0.0 111.285 -176.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -102.3 116.94 33.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.173 0.511 . . . . 0.0 110.391 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.4 t -88.11 129.14 35.39 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.7 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.41 ' HA ' ' SD ' ' A' ' 62' ' ' MET . 21.2 m -85.55 121.51 28.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.278 -178.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.432 HG11 ' HD2' ' A' ' 63' ' ' ARG . 16.9 m -129.87 13.33 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -173.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.438 ' HG2' ' CG ' ' A' ' 59' ' ' ASP . 38.3 ttt180 -168.62 -78.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.667 0.27 . . . . 0.0 111.344 177.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.438 ' CG ' ' HG2' ' A' ' 58' ' ' ARG . 2.9 p30 -161.03 -66.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.972 0.415 . . . . 0.0 110.795 -176.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -105.91 -23.72 12.61 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.411 ' HA ' ' HB3' ' A' ' 102' ' ' GLN . 47.3 t -71.75 111.52 5.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.875 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.41 ' SD ' ' HA ' ' A' ' 56' ' ' SER . 25.9 mmt -114.57 161.45 18.04 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.455 177.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.432 ' HD2' HG11 ' A' ' 57' ' ' VAL . 10.7 ptp180 -141.08 142.67 34.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.656 0.265 . . . . 0.0 110.54 175.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.93 115.86 7.14 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -178.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.804 ' O ' ' HG3' ' A' ' 68' ' ' GLN . . . -86.21 110.89 3.53 Favored Glycine 0 C--O 1.218 -0.873 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.673 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -61.77 -15.13 38.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.12 0.46 . . . . 0.0 111.896 -176.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.47 -24.56 65.62 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.804 ' HG3' ' O ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -64.14 -31.22 72.33 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.271 178.26 . . . . . . . . 3 3 . 1 . 006 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.467 ' HG ' ' OE1' ' A' ' 68' ' ' GLN . 28.5 mt -61.97 -43.27 99.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.777 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.54 ' HA ' ' CD2' ' A' ' 73' ' ' LEU . 42.7 mt-30 -65.79 -33.18 75.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.343 -176.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 64.8 mt -75.39 -45.09 41.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.699 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 61.8 mt -68.64 -30.05 68.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.201 -176.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.54 ' CD2' ' HA ' ' A' ' 70' ' ' GLN . 4.5 pp -63.15 -24.54 67.94 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.741 0.305 . . . . 0.0 111.078 -178.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -64.06 -20.75 66.16 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -104.99 110.85 23.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.189 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -87.24 2.4 50.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -175.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.3 pp -99.39 74.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.588 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -56.14 -35.04 66.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.762 -174.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -65.11 -45.68 84.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.393 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -82.07 -23.08 36.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.437 0.636 . . . . 0.0 110.111 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 1.05 ' HG ' HD13 ' A' ' 83' ' ' ILE . 21.9 tp -74.72 -24.91 58.81 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.107 176.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 70.16 23.45 5.22 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.316 0.646 . . . . 0.0 111.55 177.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 1.05 HD13 ' HG ' ' A' ' 81' ' ' LEU . 1.4 mp -86.35 139.13 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 -178.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.571 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -71.94 157.55 53.07 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.648 -0.706 . . . . 0.0 113.087 -177.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.481 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 47.3 mt-10 -65.84 -47.04 65.86 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -178.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.481 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 44.9 Cg_exo -58.68 -21.32 55.21 Favored 'Trans proline' 0 C--N 1.359 1.115 0 C-N-CA 122.005 1.803 . . . . 0.0 112.103 176.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.571 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.2 mm? -68.07 -35.32 78.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.257 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.577 ' O ' ' HG3' ' A' ' 92' ' ' ARG . 8.7 mp -68.1 -33.7 75.02 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.906 175.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.76 -41.56 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.632 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.581 ' HB2' HD13 ' A' ' 8' ' ' ILE . 28.6 t80 -65.25 -32.43 74.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.27 0.557 . . . . 0.0 110.527 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.6 tt -69.93 -26.13 63.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.76 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.577 ' HG3' ' O ' ' A' ' 88' ' ' LEU . 48.9 mtt180 -69.02 -46.72 67.26 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.723 -178.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.479 ' O ' HD11 ' A' ' 3' ' ' ILE . 7.0 ptm180 -161.58 157.08 24.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.991 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -95.74 163.91 12.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.834 0.349 . . . . 0.0 110.428 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -144.71 -58.46 0.36 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 90.9 mt -80.52 120.93 80.71 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.31 174.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.44 -45.27 31.49 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.732 2.288 . . . . 0.0 112.326 -178.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -137.28 109.71 7.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.292 176.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 56.0 mt -83.23 106.28 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.93 0.395 . . . . 0.0 109.944 175.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.0 p -109.82 143.28 39.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.27 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -127.93 120.17 27.1 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.518 177.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.411 ' HB3' ' HA ' ' A' ' 61' ' ' VAL . 13.5 pt20 . . . . . 0 C--N 1.32 -0.683 0 CA-C-O 121.176 0.513 . . . . 0.0 110.766 -175.11 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 m . . . . . 0 N--CA 1.45 -0.461 0 CA-C-O 120.761 0.315 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 007 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 mm -71.67 140.31 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 174.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.777 ' HG1' ' HB ' ' A' ' 8' ' ' ILE . 27.8 p -90.25 175.59 7.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.036 0.446 . . . . 0.0 111.858 -170.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.444 ' O ' HG22 ' A' ' 8' ' ' ILE . 9.6 t -75.44 -169.18 0.95 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.512 -178.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.2 m -49.86 -23.65 2.02 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.628 0.771 . . . . 0.0 112.244 -176.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.416 ' HA ' ' OE1' ' A' ' 10' ' ' GLN . 4.0 m-20 -52.44 -26.99 14.21 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 122.771 0.428 . . . . 0.0 111.652 176.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.777 ' HB ' ' HG1' ' A' ' 4' ' ' THR . 20.0 tt -61.69 -47.45 93.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.451 -178.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.2 p -75.73 -26.49 57.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.999 0.428 . . . . 0.0 110.645 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . 0.416 ' OE1' ' HA ' ' A' ' 7' ' ' ASP . 97.0 mt-30 -68.36 -35.0 77.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.466 178.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.6 -18.74 62.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.319 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.503 ' HA ' HD12 ' A' ' 15' ' ' LEU . . . -67.97 -17.82 64.55 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.31 0.576 . . . . 0.0 110.526 178.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -74.61 -17.17 60.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.806 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.57 6.91 38.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.714 -176.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 12' ' ' ALA . 11.0 mp -80.85 143.9 32.41 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 176.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -122.12 138.08 54.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.787 0.327 . . . . 0.0 110.759 -176.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.27 -178.83 18.39 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.814 176.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -126.15 160.31 30.54 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.571 HG12 ' CE2' ' A' ' 28' ' ' TYR . 3.7 t -133.69 128.03 53.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.65 172.24 28.87 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.855 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -90.7 130.83 36.66 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.997 0.398 . . . . 0.0 110.886 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.496 ' HB2' HG12 ' A' ' 29' ' ' ILE . 44.8 t-20 -110.28 103.38 12.04 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -71.75 -21.62 61.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.006 -175.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.42 ' O ' ' HD2' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -67.82 -42.37 81.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -177.155 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.435 HG21 ' HG2' ' A' ' 27' ' ' ARG . 9.8 t -94.56 -14.55 24.92 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.655 177.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.71 40.16 22.99 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 121.223 -0.513 . . . . 0.0 113.35 174.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.435 ' HG2' HG21 ' A' ' 25' ' ' THR . 9.7 ptp180 -154.29 169.12 24.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.995 0.398 . . . . 0.0 111.015 178.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.571 ' CE2' HG12 ' A' ' 19' ' ' VAL . 3.3 t80 -88.67 127.28 35.57 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 175.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.496 HG12 ' HB2' ' A' ' 22' ' ' ASN . 3.7 pt -128.59 165.33 28.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.208 0.528 . . . . 0.0 111.565 -172.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.521 HG13 ' HG3' ' A' ' 75' ' ' GLN . 28.7 m -96.71 150.4 4.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.83 171.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.602 ' HE ' ' HA ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -144.92 132.46 20.89 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.735 . . . . . . . . 3 3 . 1 . 007 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -69.37 -30.39 68.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.806 0.336 . . . . 0.0 111.301 -173.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.1 t -136.08 146.57 47.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.49 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -69.34 -27.69 65.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.995 0.426 . . . . 0.0 110.313 177.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -72.24 -15.45 61.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.188 -178.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.1 m -77.16 6.16 7.05 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -174.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -176.38 5.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.567 0.222 . . . . 0.0 111.114 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.72 -122.47 2.41 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 175.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -104.4 12.58 33.26 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 173.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.36 -68.84 0.68 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.817 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.4 p -102.84 139.64 23.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.819 0.342 . . . . 0.0 110.568 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.91 158.76 16.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.277 176.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.91 -31.63 68.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.301 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.98 -20.08 63.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.293 0.568 . . . . 0.0 110.914 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.8 t -95.0 12.75 27.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.275 0.559 . . . . 0.0 109.764 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 62.4 mt -119.32 138.26 50.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.017 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.2 m -135.83 129.35 18.21 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.608 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.99 132.64 48.54 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.519 2.146 . . . . 0.0 111.294 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.412 HG23 ' HB3' ' A' ' 15' ' ' LEU . 11.7 t -62.21 -25.51 67.84 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -171.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 m -65.66 -35.67 81.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.057 0.456 . . . . 0.0 110.81 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -103.13 -12.34 17.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.316 0.579 . . . . 0.0 110.275 -176.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -66.79 -27.58 67.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.319 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.526 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 33.6 m -76.81 -5.56 7.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.808 -176.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -101.45 116.68 33.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.445 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.2 t -111.5 140.5 46.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.188 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.3 m -75.03 115.56 14.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.056 -176.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.417 HG12 ' HD3' ' A' ' 63' ' ' ARG . 28.2 m -122.6 -3.48 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.899 0.38 . . . . 0.0 111.517 -178.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.549 HH21 HG23 ' A' ' 100' ' ' THR . 3.7 tpp180 -137.29 -163.19 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -56.51 -70.77 0.11 Allowed 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.264 0.352 . . . . 0.0 110.964 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -126.05 19.83 7.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.547 0.689 . . . . 0.0 109.831 172.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.63 ' HA ' ' HA ' ' A' ' 102' ' ' GLN . 14.7 t -100.38 127.82 53.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.928 178.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 65.8 mtt -109.46 160.41 16.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.692 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.449 ' HA ' ' O ' ' A' ' 99' ' ' ILE . 15.5 ptt180 -119.95 150.8 39.92 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.373 177.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.27 109.88 6.31 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 172.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -107.79 113.06 3.81 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.912 -177.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.603 ' HB3' ' CD2' ' A' ' 90' ' ' TYR . 10.4 ptm180 -68.2 -15.47 63.59 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.596 -0.356 . . . . 0.0 111.524 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -56.54 -28.9 61.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.329 0.585 . . . . 0.0 110.327 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.526 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 9.1 mm-40 -72.51 -42.51 64.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.365 178.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.645 ' HB3' HD22 ' A' ' 91' ' ' LEU . 92.6 mt -67.5 -28.67 68.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.963 -178.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 14.3 mm100 -60.31 -36.8 78.76 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.083 0.468 . . . . 0.0 109.759 178.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 56.1 mt -69.18 -35.08 66.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.054 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.639 HD13 HD23 ' A' ' 69' ' ' LEU . 64.2 mt -72.07 -38.88 69.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.957 -177.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.593 HD22 HD21 ' A' ' 91' ' ' LEU . 4.5 pp -70.47 -26.45 63.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.795 0.331 . . . . 0.0 110.168 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -66.79 -27.52 67.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.447 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.521 ' HG3' HG13 ' A' ' 30' ' ' VAL . 31.5 mm-40 -69.67 -32.07 70.49 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 176.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 69.85 13.14 8.02 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.701 174.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.441 HD12 HG21 ' A' ' 30' ' ' VAL . 2.0 pp -112.99 54.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.27 0.557 . . . . 0.0 111.53 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.515 ' HA ' HD11 ' A' ' 83' ' ' ILE . 59.5 m-80 -60.77 -27.44 67.98 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.649 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -73.01 -28.1 62.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.872 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -79.23 -54.83 5.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.257 0.551 . . . . 0.0 110.814 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.451 HD23 HD13 ' A' ' 83' ' ' ILE . 12.0 tp -79.84 -19.7 47.75 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.158 -173.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 67.12 63.81 0.45 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.755 178.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.515 HD11 ' HA ' ' A' ' 78' ' ' ASN . 3.0 mp -77.35 129.86 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 174.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.586 ' HA3' HD21 ' A' ' 87' ' ' LEU . . . -62.87 160.67 33.77 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.818 -0.628 . . . . 0.0 113.642 -174.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.457 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 37.8 mt-10 -64.23 -53.15 49.4 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 115.506 -0.347 . . . . 0.0 111.663 -177.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.684 ' HB2' HG13 ' A' ' 8' ' ' ILE . 25.8 Cg_endo -62.75 -18.53 64.77 Favored 'Trans proline' 0 C--N 1.357 1.013 0 C-N-CA 121.964 1.776 . . . . 0.0 112.104 177.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.586 HD21 ' HA3' ' A' ' 84' ' ' GLY . 3.9 mm? -69.9 -36.12 75.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.404 . . . . 0.0 109.973 178.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' A' ' 91' ' ' LEU . 9.3 mp -67.64 -31.32 71.24 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.033 0.444 . . . . 0.0 110.199 174.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 48.8 t -67.65 -38.37 80.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.743 175.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.603 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 6.1 t80 -68.68 -23.61 64.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.382 176.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.645 HD22 ' HB3' ' A' ' 69' ' ' LEU . 86.7 mt -71.22 -22.36 62.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.65 175.291 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.561 ' HE ' ' HA ' ' A' ' 92' ' ' ARG . 2.4 mmp_? -78.12 -62.39 1.69 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -146.54 174.84 11.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.773 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -128.06 139.46 52.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.189 172.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.8 -33.7 14.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.288 0.566 . . . . 0.0 110.185 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.499 HD11 HG12 ' A' ' 99' ' ' ILE . 95.5 mt -101.97 139.51 20.38 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.653 177.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.82 -20.93 71.04 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.681 2.254 . . . . 0.0 111.673 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -173.91 125.31 0.36 Allowed 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.908 177.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.499 HG12 HD11 ' A' ' 96' ' ' LEU . 56.3 mt -91.17 104.61 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.549 HG23 HH21 ' A' ' 58' ' ' ARG . 3.4 p -100.45 137.75 38.44 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -171.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -143.05 127.42 17.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.696 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.63 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 27.3 pt20 . . . . . 0 C--N 1.321 -0.633 0 CA-C-O 120.843 0.354 . . . . 0.0 110.56 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.451 -0.42 0 CA-C-O 121.043 0.449 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 008 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.802 HG13 ' HB2' ' A' ' 95' ' ' ASP . 38.8 mm -97.72 152.16 4.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.2 p -92.12 -176.39 4.37 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.98 0.419 . . . . 0.0 111.322 -176.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 m -85.55 -169.58 2.71 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.872 -178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m -50.51 -23.86 2.78 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -173.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -54.61 -19.99 7.14 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.461 0.304 . . . . 0.0 111.696 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.599 HD11 ' HB2' ' A' ' 90' ' ' TYR . 13.5 tt -52.87 -43.42 46.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.988 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.448 ' HB3' HG23 ' A' ' 99' ' ' ILE . 28.2 p -75.45 -29.27 59.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.025 0.441 . . . . 0.0 110.697 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -68.36 -34.71 76.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.514 -178.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.84 -28.66 68.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.984 178.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.678 ' HB3' HD12 ' A' ' 87' ' ' LEU . . . -70.71 -29.71 66.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.108 0.48 . . . . 0.0 110.626 179.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -76.66 -18.92 58.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.496 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.69 9.21 35.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.759 -176.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.1 mt -70.55 153.08 43.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.369 . . . . 0.0 110.62 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -113.24 158.41 20.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.131 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.47 153.65 29.29 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.628 -0.796 . . . . 0.0 113.152 175.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.571 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 77.0 m-85 -111.38 155.72 22.68 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.42 HG22 HG13 ' A' ' 30' ' ' VAL . 2.8 t -120.66 131.89 71.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 175.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.428 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -129.99 139.65 11.12 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.7 -175.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.501 ' HB3' ' HB3' ' A' ' 45' ' ' SER . 78.6 t80 -80.83 103.21 10.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.098 0.475 . . . . 0.0 110.137 178.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.559 ' HA ' HG23 ' A' ' 41' ' ' VAL . 26.0 t-20 -93.9 128.9 40.45 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.234 -178.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 -86.89 -7.73 57.92 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -174.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -80.19 -28.33 38.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.087 0.47 . . . . 0.0 109.783 176.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.6 p -105.22 -16.88 14.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.555 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.81 35.07 84.44 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.416 178.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.459 ' HG3' HG21 ' A' ' 29' ' ' ILE . 11.0 ptp180 -154.19 170.03 22.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.2 0.524 . . . . 0.0 111.862 -175.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -92.0 105.74 17.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.556 -178.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.459 HG21 ' HG3' ' A' ' 27' ' ' ARG . 2.6 pp -117.43 156.76 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 0.0 111.745 -174.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.42 HG13 HG22 ' A' ' 19' ' ' VAL . 23.3 m -91.41 138.99 18.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.271 0.558 . . . . 0.0 112.197 -174.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.559 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 12.0 mmt85 -149.24 131.94 15.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.197 176.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -79.64 -40.47 29.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.338 0.59 . . . . 0.0 109.555 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.2 p -93.77 102.92 15.08 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.4 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.473 ' HB3' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.38 -15.54 62.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 177.846 . . . . . . . . 3 3 . 1 . 008 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -80.25 3.73 19.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.226 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 62.4 p -84.1 -5.89 59.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.99 0.424 . . . . 0.0 110.83 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.559 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 65.9 m-85 -107.62 173.22 6.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.968 177.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.92 -93.71 0.4 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.175 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 66.3 mtt -110.64 7.05 22.18 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.296 0.569 . . . . 0.0 109.851 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -91.15 -12.56 35.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.695 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.559 HG23 ' HA ' ' A' ' 22' ' ' ASN . 92.8 t -140.09 122.59 16.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.256 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.22 149.97 46.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.318 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -65.5 -39.11 91.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.884 0.373 . . . . 0.0 111.167 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -71.15 -10.7 60.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.838 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.501 ' HB3' ' HB3' ' A' ' 21' ' ' PHE . 19.8 m -92.57 3.84 54.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.438 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.473 HG22 ' HB3' ' A' ' 34' ' ' GLU . 67.1 mt -113.77 118.48 58.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 94.3 m -141.07 132.91 13.86 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.822 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.571 ' HA ' ' HA ' ' A' ' 18' ' ' PHE . 12.8 Cg_endo -56.04 136.34 74.45 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.001 2.467 . . . . 0.0 111.682 177.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.538 ' O ' HG12 ' A' ' 53' ' ' VAL . 14.5 t -64.46 -28.2 69.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.863 0.364 . . . . 0.0 110.686 -176.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 p -71.45 -13.38 61.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.468 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -103.64 -30.66 10.32 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -63.85 -27.63 69.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.695 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 49' ' ' THR . 31.3 m -73.81 -9.7 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.971 178.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -105.58 140.8 38.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.059 0.457 . . . . 0.0 110.076 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.626 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . 17.1 m -103.81 96.97 7.05 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 172.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.7 t -65.01 115.71 5.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.878 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.5 m -114.67 -24.24 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.274 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -153.14 176.79 11.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.75 -36.79 83.27 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -173.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.439 ' OD2' ' HB2' ' A' ' 102' ' ' GLN . 33.1 t70 -116.18 -15.69 11.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.386 0.613 . . . . 0.0 110.531 -179.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.5 t -97.14 108.83 22.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.014 -175.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -118.66 133.61 55.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.891 174.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.626 ' HG3' ' HB2' ' A' ' 55' ' ' SER . 13.2 ptm180 -107.86 142.91 37.2 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 178.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.48 116.96 12.44 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.33 92.38 1.58 Allowed Glycine 0 N--CA 1.442 -0.953 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.915 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -60.48 -15.07 23.28 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -66.83 -23.67 66.07 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 176.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -57.18 -32.75 66.77 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.888 0.375 . . . . 0.0 110.994 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.492 HD13 ' HA ' ' A' ' 91' ' ' LEU . 37.3 mt -58.29 -42.64 87.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.007 -175.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -64.46 -38.75 92.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.436 -177.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 60.0 mt -74.25 -34.45 37.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.831 -177.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.9 mt -75.08 -39.27 60.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.337 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.68 -25.44 65.69 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -176.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -80.9 -9.45 59.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.82 0.343 . . . . 0.0 111.429 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -80.82 -30.56 35.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.673 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.1 m120 75.95 -30.19 0.19 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.753 0.821 . . . . 0.0 112.156 175.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.655 ' HB ' ' HB2' ' A' ' 80' ' ' ARG . 2.2 pp -86.34 63.42 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-O 121.752 0.787 . . . . 0.0 112.836 -170.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -59.42 -35.23 73.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.594 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -62.3 -28.22 69.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.305 0.574 . . . . 0.0 110.746 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.655 ' HB2' ' HB ' ' A' ' 77' ' ' ILE . 80.3 mtt180 -87.14 -42.14 13.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.431 -174.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 41.3 tp -95.05 -28.78 14.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.691 0.281 . . . . 0.0 111.346 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 17.0 m120 64.73 86.57 0.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.619 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.4 mp -84.38 133.3 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.285 176.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -56.55 150.11 27.03 Favored Glycine 0 C--N 1.331 0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 113.4 -176.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.545 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 38.3 tt0 -63.89 -48.4 78.81 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 111.519 0.192 . . . . 0.0 111.519 -178.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.545 ' HD3' ' HB3' ' A' ' 85' ' ' GLU . 31.4 Cg_exo -63.49 -17.6 60.73 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 121.728 1.619 . . . . 0.0 111.757 175.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.678 HD12 ' HB3' ' A' ' 12' ' ' ALA . 3.8 mm? -80.09 -33.94 38.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.623 178.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.411 ' O ' ' HG2' ' A' ' 92' ' ' ARG . 96.6 mt -63.91 -39.43 94.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.618 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 22.8 m -76.01 -33.75 25.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.599 ' HB2' HD11 ' A' ' 8' ' ' ILE . 15.8 t80 -63.89 -36.95 85.6 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.178 0.513 . . . . 0.0 110.146 177.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.492 ' HA ' HD13 ' A' ' 69' ' ' LEU . 9.9 tt -64.65 -32.86 74.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.161 178.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 88' ' ' LEU . 18.4 mmm180 -74.5 -50.02 19.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 -178.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -152.56 132.43 13.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.154 0.502 . . . . 0.0 110.309 176.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -86.11 101.72 13.22 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.131 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.802 ' HB2' HG13 ' A' ' 3' ' ' ILE . 33.8 t70 -74.54 -32.22 62.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.084 178.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.6 mp -115.16 114.21 43.44 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 174.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.49 -57.84 1.74 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 123.053 2.502 . . . . 0.0 112.88 -176.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -133.35 100.97 4.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.884 0.373 . . . . 0.0 110.183 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.448 HG23 ' HB3' ' A' ' 9' ' ' CYS . 54.4 mt -80.43 115.6 23.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.631 -178.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.7 p -109.96 133.19 53.44 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.092 0.472 . . . . 0.0 111.118 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -121.95 139.22 53.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.499 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.439 ' HB2' ' OD2' ' A' ' 60' ' ' ASP . 7.9 pt20 . . . . . 0 C--N 1.323 -0.582 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 m . . . . . 0 C--O 1.233 0.222 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 009 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.7 mm -68.73 147.93 11.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.532 ' OG1' ' HB3' ' A' ' 86' ' ' PRO . 40.7 p -91.45 -175.08 4.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.951 0.405 . . . . 0.0 111.524 -174.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 m -77.17 -169.73 1.46 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.7 m -50.93 -21.77 1.91 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.843 0.857 . . . . 0.0 112.546 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -51.84 -21.78 3.18 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 122.61 0.364 . . . . 0.0 111.807 176.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.738 HG13 ' HB2' ' A' ' 86' ' ' PRO . 18.9 tt -57.57 -38.56 64.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.92 0.391 . . . . 0.0 110.871 178.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 50.5 m -75.87 -30.72 58.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.084 0.469 . . . . 0.0 110.579 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -73.22 -42.51 62.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.087 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.98 -27.56 69.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.069 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.507 ' HB3' HG23 ' A' ' 53' ' ' VAL . . . -65.87 -20.96 66.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.163 178.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -80.44 -22.19 41.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.462 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.73 -10.0 59.62 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.682 -175.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.607 ' O ' ' HB2' ' A' ' 50' ' ' SER . 10.4 mp -67.85 120.22 13.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.29 177.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -116.65 151.38 36.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.901 0.381 . . . . 0.0 110.497 177.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 128.68 147.62 6.48 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -174.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.535 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 56.2 m-85 -111.3 126.0 54.44 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -176.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.0 t -94.63 124.8 47.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -177.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.32 148.39 20.09 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.82 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -85.23 118.34 24.72 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.52 ' OD1' ' HG2' ' A' ' 24' ' ' LYS . 46.3 t-20 -93.62 122.88 36.52 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.074 0.464 . . . . 0.0 110.166 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -64.38 -32.0 73.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.937 -175.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.52 ' HG2' ' OD1' ' A' ' 22' ' ' ASN . 18.3 ptpt -87.37 -16.63 34.42 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.458 -0.497 . . . . 0.0 112.037 -173.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.479 ' OG1' ' HB3' ' A' ' 22' ' ' ASN . 25.4 p -105.66 -26.13 11.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.045 0.45 . . . . 0.0 110.675 176.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.09 20.95 71.84 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.112 177.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -122.82 149.93 43.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.934 0.397 . . . . 0.0 110.953 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -88.48 96.59 10.67 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 171.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.4 pp -117.39 179.17 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -167.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.8 p -100.7 131.4 48.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.61 0.719 . . . . 0.0 111.221 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -125.71 136.5 53.26 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.362 175.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -90.73 4.17 52.29 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.274 0.559 . . . . 0.0 110.136 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -132.32 122.12 24.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.475 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -69.44 -41.2 76.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.394 0.616 . . . . 0.0 110.455 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -85.56 21.91 1.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.107 -173.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.5 p -77.85 -11.58 59.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.31 0.576 . . . . 0.0 110.062 176.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -126.35 140.92 52.12 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.439 -0.801 . . . . 0.0 108.963 174.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.3 -93.22 1.81 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.404 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 26.6 ptm -102.36 11.77 37.57 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.28 -60.53 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.629 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.7 t -114.37 135.26 54.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.529 -174.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.12 136.03 56.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.234 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -68.16 -14.95 63.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.209 -175.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -68.8 -29.28 67.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.0 0.428 . . . . 0.0 110.509 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.6 t -84.62 -24.71 29.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.501 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.4 mt -85.87 99.89 8.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.018 0.437 . . . . 0.0 110.123 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.5 m -121.55 129.19 25.31 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.018 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.535 ' HA ' ' HA ' ' A' ' 18' ' ' PHE . 16.4 Cg_endo -58.72 135.53 67.77 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.586 2.191 . . . . 0.0 110.858 173.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.431 HG22 ' HB3' ' A' ' 15' ' ' LEU . 7.1 t -60.1 -30.76 69.46 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -173.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.607 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 31.4 t -62.65 -36.53 83.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.156 0.503 . . . . 0.0 110.427 177.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -95.42 -1.04 51.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.394 0.616 . . . . 0.0 110.091 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -90.66 -31.68 16.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.658 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.507 HG23 ' HB3' ' A' ' 12' ' ' ALA . 9.0 m -84.37 -7.94 11.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.017 -177.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -107.13 125.01 50.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.561 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.8 m -125.21 108.84 12.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.701 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.497 ' HA ' ' HA ' ' A' ' 62' ' ' MET . 35.3 m -64.86 115.89 5.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.984 0.421 . . . . 0.0 110.704 178.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.2 m -107.46 2.63 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -152.08 -172.15 4.14 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -53.42 -55.31 26.13 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 111.553 -177.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -122.22 -22.34 5.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.047 0.451 . . . . 0.0 110.928 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.511 HG21 ' HB3' ' A' ' 102' ' ' GLN . 32.6 t -71.83 126.17 31.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.211 -177.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.497 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 68.9 mtm -111.83 146.81 37.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.745 -177.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.578 ' HD2' ' OE1' ' A' ' 98' ' ' GLU . 13.5 tpp180 -101.98 139.6 37.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.63 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.19 115.27 19.66 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 174.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.627 ' O ' ' HG3' ' A' ' 68' ' ' GLN . . . -68.43 111.19 3.82 Favored Glycine 0 C--O 1.22 -0.759 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.551 -177.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -22.68 60.71 Favored 'General case' 0 C--N 1.315 -0.919 0 O-C-N 122.297 -0.531 . . . . 0.0 110.626 171.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.37 -24.85 63.03 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.741 -174.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.627 ' HG3' ' O ' ' A' ' 65' ' ' GLY . 2.8 pp0? -58.59 -30.42 67.18 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -177.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 91' ' ' LEU . 57.8 mt -55.98 -42.05 75.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.314 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.455 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 11.2 mm100 -66.93 -34.36 77.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.596 -177.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 61.1 mt -77.18 -39.1 28.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.359 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 57.7 mt -70.18 -31.86 69.53 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -175.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.1 pp -60.12 -22.97 63.47 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -176.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.447 ' N ' HD13 ' A' ' 73' ' ' LEU . 43.4 mm-40 -50.88 -34.31 27.67 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.969 0.414 . . . . 0.0 110.813 176.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.91 ' HB2' HD13 ' A' ' 81' ' ' LEU . 67.0 mm-40 -110.62 131.56 54.95 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -98.83 -0.36 42.65 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.916 -172.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.564 HD13 ' HB3' ' A' ' 80' ' ' ARG . 1.0 OUTLIER -85.57 85.89 2.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.449 0.642 . . . . 0.0 111.57 177.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -63.17 -37.14 86.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.371 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -63.97 -39.2 93.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.284 0.564 . . . . 0.0 110.654 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.564 ' HB3' HD13 ' A' ' 77' ' ' ILE . 56.3 ttt180 -75.95 -40.96 52.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.408 -177.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.91 HD13 ' HB2' ' A' ' 75' ' ' GLN . 90.3 mt -75.59 -12.13 60.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.253 177.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 71.63 25.26 3.34 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.981 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.445 HD12 HD12 ' A' ' 72' ' ' LEU . 1.6 mp -61.33 120.12 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.053 0.454 . . . . 0.0 110.034 176.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.507 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -75.58 170.53 54.53 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.663 -0.699 . . . . 0.0 113.019 -176.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.427 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 5.4 mm-40 -55.13 -53.87 56.75 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -177.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.738 ' HB2' HG13 ' A' ' 8' ' ' ILE . 42.9 Cg_endo -67.95 -10.94 30.46 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.104 1.87 . . . . 0.0 112.494 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.3 mm? -77.63 -28.94 51.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.096 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 mp -68.45 -43.76 76.33 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.801 0.334 . . . . 0.0 110.525 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 35.5 m -73.73 -34.8 41.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.281 -177.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.56 ' HB2' HD12 ' A' ' 8' ' ' ILE . 50.3 t80 -60.97 -35.64 77.31 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.114 0.483 . . . . 0.0 110.355 177.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.449 ' HA ' HD13 ' A' ' 69' ' ' LEU . 10.5 tt -62.3 -37.17 84.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -74.46 -51.66 14.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.308 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -160.52 164.19 32.26 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -117.96 129.42 55.59 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.143 0.497 . . . . 0.0 111.073 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.25 -46.34 87.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.171 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 50.2 tp -107.65 108.16 61.22 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.147 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -63.91 -13.57 38.07 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 123.221 2.614 . . . . 0.0 112.889 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.578 ' OE1' ' HD2' ' A' ' 63' ' ' ARG . 8.0 tp10 -139.12 88.97 2.31 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.275 -178.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 60.0 mt -92.29 107.57 19.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.466 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.424 HG22 HG12 ' A' ' 61' ' ' VAL . 2.7 m -133.6 120.57 20.89 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.295 176.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.06 156.85 43.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.84 0.353 . . . . 0.0 111.448 -173.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.511 ' HB3' HG21 ' A' ' 61' ' ' VAL . 30.2 pt20 . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.884 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.735 0.302 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 010 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.76 HG13 ' HB2' ' A' ' 95' ' ' ASP . 48.6 mm -75.51 144.14 12.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 173.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.425 ' HG1' ' HB ' ' A' ' 8' ' ' ILE . 30.0 p -91.11 172.62 8.43 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.994 0.426 . . . . 0.0 112.039 -171.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.407 ' HB2' ' OD1' ' A' ' 7' ' ' ASP . 16.5 m -75.59 -169.9 1.14 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.208 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.56 -22.95 2.21 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.584 0.754 . . . . 0.0 112.243 -178.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . 0.407 ' OD1' ' HB2' ' A' ' 5' ' ' SER . 3.2 m-20 -55.2 -21.58 14.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.274 179.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.593 HD12 ' HB2' ' A' ' 90' ' ' TYR . 15.7 tt -57.07 -38.62 61.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-O 120.977 0.418 . . . . 0.0 110.536 177.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.465 ' SG ' HG22 ' A' ' 99' ' ' ILE . 58.1 m -75.54 -30.61 59.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.026 0.441 . . . . 0.0 110.808 178.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -68.85 -37.65 79.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.217 -178.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.97 -22.0 63.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.874 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.463 ' HB2' HG21 ' A' ' 53' ' ' VAL . . . -74.43 -24.49 59.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.209 0.528 . . . . 0.0 110.289 177.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -77.45 -21.3 53.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.958 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.54 -5.0 59.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.587 -177.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 83' ' ' ILE . 60.9 mt -65.39 129.84 41.18 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -114.83 140.36 49.0 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.985 0.421 . . . . 0.0 110.827 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 135.22 147.13 5.45 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 -177.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -111.07 124.51 52.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.935 0.398 . . . . 0.0 110.152 -177.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.406 HG22 HG12 ' A' ' 30' ' ' VAL . 18.8 t -95.62 131.76 41.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.266 -176.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.35 163.95 29.28 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.26 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -97.13 109.54 22.27 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.419 ' HB2' HG12 ' A' ' 29' ' ' ILE . 52.2 t30 -90.28 122.66 33.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.085 0.469 . . . . 0.0 110.917 -176.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -62.42 -20.99 65.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.352 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -66.12 -53.7 34.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.53 0.205 . . . . 0.0 111.047 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.1 t -93.24 -19.64 21.22 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.399 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.65 33.74 63.39 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.627 -177.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -139.96 176.6 8.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.735 0.303 . . . . 0.0 110.294 -177.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -82.16 129.3 34.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.187 175.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.419 HG12 ' HB2' ' A' ' 22' ' ' ASN . 2.7 pp -133.72 171.4 18.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.147 176.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.448 HG22 HD12 ' A' ' 77' ' ' ILE . 27.3 m -123.35 140.51 46.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.211 0.529 . . . . 0.0 110.857 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -132.05 154.43 49.42 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 176.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -102.99 4.42 37.37 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.369 0.604 . . . . 0.0 109.741 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.489 ' HB2' ' OG ' ' A' ' 36' ' ' SER . 4.4 m -125.87 116.57 21.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.109 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -69.25 -32.11 71.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.689 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -72.71 -10.44 59.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.323 -174.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.489 ' OG ' ' HB2' ' A' ' 33' ' ' SER . 16.6 m -74.73 -7.02 52.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.056 0.455 . . . . 0.0 111.025 -178.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.407 ' HB2' HD11 ' A' ' 46' ' ' ILE . 70.9 m-85 -123.01 106.28 10.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.814 176.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.5 -76.12 1.2 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.168 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -104.75 2.64 30.47 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 172.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.47 -52.06 50.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.829 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.5 t -133.12 145.56 33.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 114.745 -1.116 . . . . 0.0 108.716 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.6 137.17 56.55 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -63.15 -26.13 68.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.983 0.42 . . . . 0.0 110.673 -177.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -70.88 -29.73 65.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.314 175.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.8 m -86.0 -18.0 33.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.096 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.407 HD11 ' HB2' ' A' ' 37' ' ' PHE . 59.5 mt -75.78 97.39 1.38 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 174.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.6 m -114.03 124.85 30.23 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 -175.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -58.49 141.25 97.11 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.548 2.166 . . . . 0.0 110.795 172.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.43 ' HA ' ' HB3' ' A' ' 52' ' ' PHE . 6.2 t -64.13 -13.87 51.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.584 0.23 . . . . 0.0 111.577 -177.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.94 -30.28 69.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.107 0.479 . . . . 0.0 110.458 175.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -104.75 -27.22 11.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.114 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.43 ' HB3' ' HA ' ' A' ' 49' ' ' THR . 63.2 t80 -57.91 -35.45 71.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.557 -176.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.54 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 27.6 m -75.51 -8.79 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -177.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.445 ' CH2' ' HB3' ' A' ' 9' ' ' CYS . 97.6 m95 -102.68 124.85 48.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.136 0.493 . . . . 0.0 111.005 -178.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.4 t -110.01 111.72 23.28 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.5 t -67.24 115.45 6.92 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.0 m -107.46 -27.1 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -175.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -161.25 108.49 1.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.884 0.374 . . . . 0.0 111.953 -178.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 55.93 -92.8 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.703 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -111.6 -11.84 13.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.437 0.636 . . . . 0.0 110.021 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.532 ' HA ' ' HB3' ' A' ' 102' ' ' GLN . 30.2 t -71.91 109.51 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.359 -177.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 70.1 mtm -99.95 132.15 45.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.317 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -95.56 120.54 35.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.142 177.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -70.1 111.77 5.99 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 174.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.86 107.61 3.56 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.089 -176.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.561 ' HB3' ' CE2' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -68.96 -17.65 63.97 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 122.611 -0.347 . . . . 0.0 111.027 176.337 . . . . . . . . 3 3 . 1 . 010 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.531 ' OE1' ' HD3' ' A' ' 66' ' ' ARG . 1.7 mp0 -56.74 -30.58 63.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.608 0.718 . . . . 0.0 109.986 175.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.54 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 12.9 mm-40 -66.5 -31.51 72.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.321 -176.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.557 HD13 ' HA ' ' A' ' 66' ' ' ARG . 10.0 mp -63.39 -28.51 70.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -178.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -67.52 -30.84 70.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.727 0.299 . . . . 0.0 110.612 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.513 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 61.8 mt -74.55 -34.89 36.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.408 0.623 . . . . 0.0 110.161 178.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.0 mt -74.13 -29.77 61.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.356 0.598 . . . . 0.0 109.908 175.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.7 tp -66.88 -38.69 86.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.622 -178.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 71' ' ' ILE . 13.5 pt-20 -69.49 -29.25 66.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.945 0.402 . . . . 0.0 110.051 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.409 ' NE2' ' HA ' ' A' ' 29' ' ' ILE . 4.5 tp-100 -69.4 -45.55 68.96 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 175.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 65.17 30.97 11.19 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 114.671 -1.149 . . . . 0.0 112.319 169.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.448 HD12 HG22 ' A' ' 30' ' ' VAL . 1.8 pp -117.07 55.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.48 0.657 . . . . 0.0 110.826 175.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.493 ' HA ' HD12 ' A' ' 83' ' ' ILE . 46.3 t-20 -55.12 -36.2 65.46 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.75 -177.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -59.95 -33.5 72.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.394 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -79.45 -54.46 5.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.848 0.356 . . . . 0.0 111.197 -176.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.54 -26.51 64.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.988 -177.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.6 t30 62.84 83.87 0.15 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.138 -174.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 78' ' ' ASN . 1.9 mp -80.91 128.2 38.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 176.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.571 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -55.2 145.47 30.64 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.69 -0.686 . . . . 0.0 113.039 -176.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.543 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 2.5 mp0 -55.69 -48.15 97.13 Favored Pre-proline 0 C--N 1.321 -0.66 0 C-N-CA 122.67 0.388 . . . . 0.0 111.643 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.543 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 38.2 Cg_exo -59.73 -26.31 81.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 C-N-CA 122.014 1.809 . . . . 0.0 112.245 175.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.571 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.4 mm? -68.89 -35.04 76.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.865 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.661 ' O ' ' HD3' ' A' ' 92' ' ' ARG . 10.4 mp -63.99 -43.46 95.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.714 174.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.441 HG13 HD11 ' A' ' 3' ' ' ILE . 16.7 t -63.44 -34.93 70.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.27 0.557 . . . . 0.0 109.97 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.593 ' HB2' HD12 ' A' ' 8' ' ' ILE . 7.0 t80 -64.75 -33.88 77.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.353 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.7 tt -72.2 -32.39 66.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.032 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.661 ' HD3' ' O ' ' A' ' 88' ' ' LEU . 4.2 mpt_? -60.09 -59.71 4.99 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.933 176.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.577 ' HG3' HD13 ' A' ' 3' ' ' ILE . 6.6 ptp180 -149.25 131.99 15.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.017 0.437 . . . . 0.0 110.629 173.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.447 ' O ' ' HG3' ' A' ' 94' ' ' GLN . 11.4 pt20 -83.14 100.51 10.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.602 0.715 . . . . 0.0 109.992 176.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.76 ' HB2' HG13 ' A' ' 3' ' ' ILE . 16.4 t70 -68.25 -41.68 80.78 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 175.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.1 mp -117.64 102.63 51.56 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.217 173.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -57.2 -43.34 53.77 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.889 2.393 . . . . 0.0 112.265 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -116.48 92.16 3.8 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.531 178.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.465 HG22 ' SG ' ' A' ' 9' ' ' CYS . 51.4 mt -83.22 104.8 12.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 175.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.4 p -101.42 123.44 45.49 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.736 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.94 136.83 47.64 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.742 -177.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.532 ' HB3' ' HA ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.703 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.119 177.148 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 m . . . . . 0 C--O 1.236 0.384 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 011 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.601 HG13 ' HB3' ' A' ' 95' ' ' ASP . 38.2 mm -67.77 141.65 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.151 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.547 ' HG1' ' HB ' ' A' ' 8' ' ' ILE . 30.2 p -91.05 -175.19 4.24 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.383 -172.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.482 ' O ' HG22 ' A' ' 8' ' ' ILE . 13.2 m -78.59 -170.2 2.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.011 -178.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.1 m -50.45 -23.75 2.65 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.642 0.777 . . . . 0.0 112.689 -175.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -52.83 -29.89 30.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.4 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.547 ' HB ' ' HG1' ' A' ' 4' ' ' THR . 16.5 tt -63.83 -34.78 70.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-O 120.967 0.413 . . . . 0.0 110.811 -179.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.533 ' HG ' HG23 ' A' ' 99' ' ' ILE . 12.3 m -74.51 -39.99 62.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.514 -179.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -74.19 -36.75 64.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.146 -177.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.79 -32.51 71.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.11 -25.67 67.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.896 0.379 . . . . 0.0 111.625 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -86.61 -17.61 33.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.289 0.566 . . . . 0.0 110.028 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.91 2.25 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.197 -175.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mp -66.29 169.37 7.33 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.779 0.323 . . . . 0.0 110.965 177.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.431 ' HG2' ' HB2' ' A' ' 82' ' ' ASN . 17.7 ptpt -141.24 157.08 45.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.798 0.333 . . . . 0.0 110.692 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.52 154.43 17.04 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.35 178.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -118.75 122.87 43.46 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.498 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 12.1 p -114.04 134.43 56.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.594 -173.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.76 175.92 29.54 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.347 -176.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -100.64 123.62 45.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.841 0.353 . . . . 0.0 110.9 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.501 ' HB3' HG22 ' A' ' 25' ' ' THR . 24.5 t-20 -94.94 114.58 26.43 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.434 ' HG2' ' HB3' ' A' ' 40' ' ' ASP . 13.4 ptm180 -71.38 -20.86 62.09 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -172.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.619 ' HB2' ' HZ3' ' A' ' 24' ' ' LYS . 3.5 ttmp? -76.35 -49.65 16.29 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 122.131 -0.356 . . . . 0.0 110.883 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.501 HG22 ' HB3' ' A' ' 22' ' ' ASN . 12.1 t -81.82 -24.41 35.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.942 0.401 . . . . 0.0 110.72 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.47 40.58 27.43 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.863 175.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.448 ' HG2' HG21 ' A' ' 25' ' ' THR . 32.1 ptt180 -154.25 168.02 27.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.867 0.365 . . . . 0.0 110.97 177.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.461 ' CE2' HG23 ' A' ' 19' ' ' VAL . 2.2 t80 -96.71 119.99 36.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.784 -174.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 pp -130.19 159.55 42.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.712 0.291 . . . . 0.0 111.761 -174.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.498 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 8.3 p -116.3 145.21 22.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.84 -178.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.47 148.02 45.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -73.28 -41.35 63.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.422 -176.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.2 m -101.19 134.13 44.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.17 -176.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -66.33 -45.35 80.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.104 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -61.78 -17.23 55.25 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.915 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.6 m -83.73 25.79 0.75 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.895 0.379 . . . . 0.0 111.469 -175.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -90.34 149.32 22.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.961 0.41 . . . . 0.0 110.117 177.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.96 176.6 24.86 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.231 176.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 26.3 mmt -69.92 -0.73 7.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.201 0.524 . . . . 0.0 111.019 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.475 ' OD1' ' HB2' ' A' ' 24' ' ' LYS . 14.9 m-20 -82.21 -11.37 58.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.291 175.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.2 t -129.44 123.91 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.681 -179.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.13 142.57 47.48 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -64.07 -27.37 69.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.61 0.243 . . . . 0.0 111.167 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -71.63 -29.63 64.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.934 0.397 . . . . 0.0 110.371 174.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.0 m -82.03 -6.51 59.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.294 -177.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.1 mt -69.99 101.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.8 m -101.03 117.18 62.91 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.134 -175.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -61.37 130.71 33.02 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.318 2.012 . . . . 0.0 110.299 171.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.0 t -60.53 -25.77 66.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.485 0.183 . . . . 0.0 111.456 -177.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.6 m -68.99 -17.33 63.91 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 120.88 0.371 . . . . 0.0 110.945 177.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -115.48 3.31 14.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.176 0.512 . . . . 0.0 110.105 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -93.04 -44.21 8.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.607 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.543 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 34.4 m -68.86 -21.98 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.987 -178.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -87.46 115.55 24.96 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 173.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.5 t -98.9 111.56 23.92 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.97 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.3 m -74.51 114.1 12.52 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.1 m -110.84 -4.87 11.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.449 0.642 . . . . 0.0 109.725 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.452 ' HB3' ' HB ' ' A' ' 61' ' ' VAL . 33.9 ttt180 -151.63 166.3 31.65 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -61.43 -51.96 66.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.821 0.343 . . . . 0.0 111.351 -176.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -97.82 -32.56 11.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.452 ' HB ' ' HB3' ' A' ' 58' ' ' ARG . 46.0 t -91.52 115.19 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.153 0.501 . . . . 0.0 111.827 -174.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.426 ' O ' ' HA ' ' A' ' 100' ' ' THR . 62.4 mtm -108.06 157.94 17.83 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.765 175.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -130.24 144.2 51.23 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 176.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.526 HD13 ' CE2' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -73.93 118.94 17.47 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 175.353 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -99.88 112.27 4.4 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.114 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.496 ' HA ' HD12 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -70.73 -18.89 62.78 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 122.415 -0.462 . . . . 0.0 111.719 178.407 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -63.17 -23.68 67.54 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.123 0.487 . . . . 0.0 110.814 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.543 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 8.3 mm-40 -67.14 -34.95 78.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.127 -178.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 66' ' ' ARG . 8.3 mp -68.3 -27.66 66.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.201 -0.908 . . . . 0.0 111.152 -176.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -61.53 -33.79 74.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.658 0.266 . . . . 0.0 111.1 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . 0.42 ' O ' ' HG3' ' A' ' 74' ' ' GLU . 64.1 mt -69.22 -39.92 79.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.247 0.546 . . . . 0.0 110.09 178.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.5 mt -73.1 -25.18 60.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.593 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.7 tp -68.81 -27.13 65.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.191 -174.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . 0.484 ' OE2' ' HB2' ' A' ' 75' ' ' GLN . 0.8 OUTLIER -82.49 -22.12 35.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.174 0.511 . . . . 0.0 110.6 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.484 ' HB2' ' OE2' ' A' ' 74' ' ' GLU . 6.0 tp-100 -108.81 89.11 2.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.678 176.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -73.63 84.9 1.59 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.194 0.521 . . . . 0.0 111.328 -176.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 pp -135.57 56.49 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.568 174.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.424 ' HA ' HD13 ' A' ' 83' ' ' ILE . 15.4 m120 -56.62 -35.37 68.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.806 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -27.56 66.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.109 177.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.451 ' HD2' ' HA ' ' A' ' 80' ' ' ARG . 16.6 tpt180 -84.98 -52.4 6.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.837 0.351 . . . . 0.0 111.167 -176.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.467 HD22 ' O ' ' A' ' 81' ' ' LEU . 8.1 tt -85.41 -25.38 27.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -174.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.431 ' HB2' ' HG2' ' A' ' 16' ' ' LYS . 0.9 OUTLIER 65.26 72.08 0.43 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.165 0.507 . . . . 0.0 110.778 -175.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 78' ' ' ASN . 3.2 mp -77.44 124.27 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 175.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.578 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -54.92 141.36 36.83 Favored Glycine 0 N--CA 1.451 -0.339 0 O-C-N 123.577 0.548 . . . . 0.0 112.783 -178.223 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.546 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 2.0 mp0 -58.39 -49.12 95.29 Favored Pre-proline 0 C--N 1.321 -0.643 0 C-N-CA 122.635 0.374 . . . . 0.0 111.91 -177.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.546 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 28.5 Cg_exo -63.74 -16.08 52.66 Favored 'Trans proline' 0 C--N 1.358 1.064 0 C-N-CA 121.999 1.799 . . . . 0.0 112.32 177.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.1 mm? -72.29 -32.26 66.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.235 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.479 ' O ' ' HG3' ' A' ' 92' ' ' ARG . 3.5 mm? -63.39 -31.34 72.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.275 0.559 . . . . 0.0 109.589 174.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.499 HG12 HD11 ' A' ' 3' ' ' ILE . 54.0 t -68.65 -42.55 83.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.4 177.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.529 ' HB2' HD11 ' A' ' 8' ' ' ILE . 12.9 t80 -65.62 -30.49 71.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.83 178.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 60.8 tp -69.45 -35.71 75.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.527 177.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 88' ' ' LEU . 54.5 mtt180 -58.55 -58.65 7.62 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 121.147 0.498 . . . . 0.0 110.525 178.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.431 ' O ' HD13 ' A' ' 3' ' ' ILE . 4.3 ptp180 -144.99 132.06 20.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.286 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -87.06 61.9 7.05 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.443 0.64 . . . . 0.0 109.45 172.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.601 ' HB3' HG13 ' A' ' 3' ' ' ILE . 19.1 t70 -53.15 -44.76 68.06 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.525 178.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 80.6 mt -96.04 101.2 7.88 Favored Pre-proline 0 N--CA 1.446 -0.641 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 166.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -69.04 -18.35 40.45 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.644 2.229 . . . . 0.0 112.666 -171.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -150.44 92.76 1.89 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.072 0.463 . . . . 0.0 111.356 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.533 HG23 ' HG ' ' A' ' 9' ' ' CYS . 63.5 mt -75.06 104.73 3.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 168.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 62' ' ' MET . 5.6 p -99.02 137.75 37.1 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.233 0.54 . . . . 0.0 111.49 -174.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.22 120.68 36.83 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.441 178.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 . . . . . 0 C--N 1.32 -0.684 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.691 -178.351 . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.672 0.272 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 012 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.565 HG13 ' H ' ' A' ' 95' ' ' ASP . 45.5 mm -86.09 137.58 20.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 174.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.3 p -91.72 -175.56 4.2 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.213 0.53 . . . . 0.0 111.985 -172.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 m -69.75 -168.42 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.255 -177.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.5 m -49.44 -22.79 1.27 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.704 0.802 . . . . 0.0 112.541 -176.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -52.62 -24.97 9.41 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 122.674 0.39 . . . . 0.0 111.969 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.695 HG13 ' HB2' ' A' ' 86' ' ' PRO . 19.6 tt -62.54 -34.83 67.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 120.911 0.386 . . . . 0.0 110.765 178.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.5 t -74.89 -35.23 62.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.217 0.532 . . . . 0.0 110.237 177.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -72.99 -34.0 66.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.108 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . 0.506 ' HB3' ' HA3' ' A' ' 84' ' ' GLY . . . -62.72 -32.12 73.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.49 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.461 ' HA ' HD13 ' A' ' 15' ' ' LEU . . . -67.69 -19.66 65.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.365 0.603 . . . . 0.0 110.754 178.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -85.62 -11.98 52.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.028 178.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.87 -1.83 57.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.661 -177.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.504 ' HB3' HG22 ' A' ' 49' ' ' THR . 11.0 mp -71.32 128.76 36.96 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 175.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -129.28 143.35 50.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.078 0.466 . . . . 0.0 111.075 -174.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.58 166.06 13.21 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.89 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -111.88 132.62 54.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.817 0.341 . . . . 0.0 110.434 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.492 HG21 ' HB ' ' A' ' 49' ' ' THR . 47.8 t -101.79 130.86 50.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.29 162.54 27.22 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.23 -0.986 . . . . 0.0 112.575 -178.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -109.45 114.56 28.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.882 0.372 . . . . 0.0 110.062 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -89.21 101.17 13.83 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -69.39 -20.95 63.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.791 -174.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -53.32 -45.79 69.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.979 0.418 . . . . 0.0 110.79 176.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.7 t -105.07 -13.3 15.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.579 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.89 49.88 26.53 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.762 177.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -151.1 162.88 40.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.74 -0.271 . . . . 0.0 110.413 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -86.8 138.53 31.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.968 177.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.4 pp -132.56 160.33 42.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.691 178.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.2 m -118.29 128.7 75.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.161 177.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.602 ' HG3' ' HE2' ' A' ' 37' ' ' PHE . 11.1 mmt180 -135.49 164.65 27.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.753 -177.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.55 ' HZ ' ' HG3' ' A' ' 80' ' ' ARG . 85.3 m-85 -111.87 -21.95 11.35 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.382 0.61 . . . . 0.0 109.72 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.415 ' HB3' ' HB2' ' A' ' 36' ' ' SER . 36.5 t -106.97 112.92 26.11 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.672 174.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.47 -19.08 63.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.674 0.749 . . . . 0.0 109.496 175.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -77.07 -13.78 59.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.733 -1.122 . . . . 0.0 110.758 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.415 ' HB2' ' HB3' ' A' ' 33' ' ' SER . 4.4 t -63.66 -33.31 75.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.171 -174.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.602 ' HE2' ' HG3' ' A' ' 31' ' ' ARG . 69.6 m-85 -105.75 162.89 13.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.506 178.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.32 -130.08 3.03 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.302 -0.951 . . . . 0.0 113.141 -177.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -59.79 -21.25 60.56 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -170.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -73.54 -31.09 63.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.03 0.443 . . . . 0.0 110.794 -179.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.85 127.24 69.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.797 -176.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.09 120.5 12.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -67.48 -18.34 65.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.5 -174.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -74.42 -21.67 59.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.319 . . . . 0.0 110.894 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.4 m -81.34 -19.65 42.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.572 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 59.9 mt -73.03 98.14 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.629 178.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.7 m -115.94 134.53 22.72 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.234 -172.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -51.95 126.08 19.04 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.846 2.364 . . . . 0.0 111.178 173.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.504 HG22 ' HB3' ' A' ' 15' ' ' LEU . 9.6 t -61.89 -25.78 67.76 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -173.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 53' ' ' VAL . 31.4 t -64.85 -43.37 93.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.554 0.216 . . . . 0.0 110.836 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.605 ' HA ' ' HD1' ' A' ' 54' ' ' TRP . 34.2 tt0 -87.28 -14.53 40.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.317 0.58 . . . . 0.0 110.258 -178.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -67.21 -25.39 66.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.845 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.57 ' HA ' ' HG2' ' A' ' 68' ' ' GLN . 10.7 m -87.29 -3.61 9.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.468 -176.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.605 ' HD1' ' HA ' ' A' ' 51' ' ' GLU . 98.1 m95 -99.45 118.38 35.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.009 0.433 . . . . 0.0 110.72 -179.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.2 m -90.9 112.89 24.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.195 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.447 ' HA ' ' HG2' ' A' ' 62' ' ' MET . 20.3 m -65.47 124.48 22.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.526 179.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.5 m -115.14 7.55 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -177.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.427 ' HG2' ' OD1' ' A' ' 59' ' ' ASP . 29.6 ttm180 -166.39 -77.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.66 178.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.427 ' OD1' ' HG2' ' A' ' 58' ' ' ARG . 6.3 m-20 -135.97 -87.11 0.34 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.578 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -95.59 -23.06 17.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.061 175.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.416 HG13 ' HB3' ' A' ' 58' ' ' ARG . 7.5 p -69.78 120.33 17.3 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 CA-C-O 121.732 0.777 . . . . 0.0 110.454 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.447 ' HG2' ' HA ' ' A' ' 56' ' ' SER . 57.3 mtt -126.73 149.44 49.59 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.482 -178.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.503 ' HB2' ' HB2' ' A' ' 98' ' ' GLU . 31.3 ptt180 -111.35 146.63 36.76 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . 0.518 ' HB2' ' HB ' ' A' ' 99' ' ' ILE . 0.8 OUTLIER -63.09 110.5 1.85 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 177.666 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.686 ' O ' ' HG3' ' A' ' 68' ' ' GLN . . . -87.29 120.07 5.42 Favored Glycine 0 N--CA 1.439 -1.11 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.26 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.3 ptm85 -70.76 -13.05 61.91 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 117.412 0.606 . . . . 0.0 110.985 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -27.27 68.53 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -178.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.686 ' HG3' ' O ' ' A' ' 65' ' ' GLY . 3.3 pp0? -65.34 -30.16 70.97 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 111.086 174.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.616 ' HG ' ' NE2' ' A' ' 68' ' ' GLN . 81.6 mt -60.97 -30.92 70.54 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.795 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.843 HE21 ' HA ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -69.3 -34.04 74.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.878 0.37 . . . . 0.0 110.339 178.641 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.8 mt -73.63 -48.22 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.222 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.67 -27.6 69.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.939 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.5 tp -56.93 -28.7 62.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.049 -178.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -82.06 -13.46 57.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.9 0.381 . . . . 0.0 111.091 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -122.25 90.85 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.84 0.352 . . . . 0.0 110.091 -179.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . 0.41 ' N ' HD21 ' A' ' 76' ' ' ASN . 0.9 OUTLIER -79.75 35.13 0.29 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.191 0.519 . . . . 0.0 111.653 -174.813 . . . . . . . . 3 3 . 1 . 012 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.7 pp -93.81 53.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.267 -179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.505 ' HA ' HD12 ' A' ' 83' ' ' ILE . 2.5 m-20 -58.72 -31.52 68.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.338 -178.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -68.25 -29.17 67.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.349 0.595 . . . . 0.0 110.912 177.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.55 ' HG3' ' HZ ' ' A' ' 32' ' ' PHE . 3.9 tpt180 -81.35 -51.63 8.14 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.479 -175.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.4 tp -89.55 -22.21 22.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.311 -173.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.3 t30 64.13 85.49 0.14 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.063 -177.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 78' ' ' ASN . 2.4 mp -88.87 132.0 34.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.321 176.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.517 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -56.9 146.48 35.4 Favored Glycine 0 N--CA 1.452 -0.268 0 O-C-N 123.624 0.577 . . . . 0.0 113.195 -176.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.579 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 17.2 tp10 -54.24 -56.03 30.67 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.695 ' HB2' HG13 ' A' ' 8' ' ' ILE . 11.2 Cg_exo -72.24 -1.53 10.26 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 121.947 1.765 . . . . 0.0 112.993 -177.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.9 mm? -73.71 -28.91 61.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 176.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.3 mp -66.18 -45.9 79.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.731 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.8 m -71.75 -34.29 51.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.996 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.511 ' HB2' HD11 ' A' ' 8' ' ' ILE . 36.8 t80 -59.55 -35.81 74.96 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.354 0.597 . . . . 0.0 109.935 175.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.51 HD11 HD22 ' A' ' 69' ' ' LEU . 7.1 tt -67.75 -50.52 56.83 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.931 176.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.0 mmt85 -54.94 -53.51 54.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.955 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.416 ' O ' HD12 ' A' ' 3' ' ' ILE . 13.0 ttm180 -166.86 115.06 0.84 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.047 0.451 . . . . 0.0 109.935 174.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -78.91 120.31 23.33 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.737 -177.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.565 ' H ' HG13 ' A' ' 3' ' ' ILE . 26.8 t70 -75.15 -27.73 59.85 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 175.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 94.5 mt -99.38 123.57 47.93 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.078 171.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.01 -30.36 93.16 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.705 2.27 . . . . 0.0 111.936 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.503 ' HB2' ' HB2' ' A' ' 63' ' ' ARG . 9.2 pt-20 -166.57 122.75 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.173 176.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.518 ' HB ' ' HB2' ' A' ' 64' ' ' LEU . 67.3 mt -78.61 113.83 18.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.8 p -95.03 127.79 41.36 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.167 0.508 . . . . 0.0 111.42 -176.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.98 127.57 38.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.484 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 . . . . . 0 C--N 1.32 -0.689 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.638 176.344 . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.522 0.201 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 013 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.881 HG22 ' HB2' ' A' ' 95' ' ' ASP . 42.4 mm -70.75 141.84 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.591 ' HG1' ' HB ' ' A' ' 8' ' ' ILE . 38.5 p -98.24 174.39 6.53 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.357 0.599 . . . . 0.0 112.315 -174.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 m -80.74 -164.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.946 174.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.7 m -47.89 -20.05 0.28 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.601 0.761 . . . . 0.0 112.567 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -50.17 -30.54 11.59 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.705 0.402 . . . . 0.0 110.947 175.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.591 ' HB ' ' HG1' ' A' ' 4' ' ' THR . 16.8 tt -58.26 -34.75 50.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.097 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.5 t -74.19 -39.49 63.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.621 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -74.16 -36.73 64.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 -176.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.72 -19.09 65.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.488 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.6 -16.69 62.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.136 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -94.51 -9.03 36.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.436 0.636 . . . . 0.0 110.054 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.25 -8.22 59.71 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.804 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.443 HD21 ' HA ' ' A' ' 83' ' ' ILE . 14.3 mt -68.23 135.75 52.47 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 176.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.52 ' HE2' ' OD1' ' A' ' 82' ' ' ASN . 61.1 pttt -132.78 133.78 43.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.354 0.597 . . . . 0.0 111.389 -179.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.38 166.35 11.66 Favored Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.425 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -113.12 137.39 51.51 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.799 0.333 . . . . 0.0 110.19 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.9 t -105.41 124.45 60.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 174.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -142.33 164.04 27.01 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.297 -0.954 . . . . 0.0 112.74 -174.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -98.3 116.56 30.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.819 0.342 . . . . 0.0 110.367 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . 0.433 ' OD1' HG21 ' A' ' 25' ' ' THR . 26.6 t-20 -90.89 119.81 31.39 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 176.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.497 ' HD3' ' OD1' ' A' ' 40' ' ' ASP . 4.4 ptm180 -78.91 -16.0 57.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.341 -172.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.851 ' HE2' ' HA ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -72.8 -55.61 6.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.665 0.269 . . . . 0.0 110.399 -179.641 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.433 HG21 ' OD1' ' A' ' 22' ' ' ASN . 12.2 t -84.52 -15.42 45.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.001 0.429 . . . . 0.0 110.127 177.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.27 22.42 78.54 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.403 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -114.64 156.38 24.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.732 0.301 . . . . 0.0 110.406 -176.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -96.21 105.29 17.32 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 pp -122.76 178.49 3.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.182 0.515 . . . . 0.0 112.307 -167.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.414 HG12 HD21 ' A' ' 81' ' ' LEU . 34.6 m -107.53 148.92 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.856 -179.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -152.34 132.13 13.23 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -86.03 -30.23 22.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.188 0.518 . . . . 0.0 109.882 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 m -81.1 112.51 18.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.709 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -28.22 66.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.21 0.528 . . . . 0.0 109.784 177.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.95 -13.26 32.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.709 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.3 m -77.64 55.88 1.39 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.904 0.383 . . . . 0.0 111.326 -178.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -145.94 -178.2 6.0 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 176.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 167.9 -120.19 0.89 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.724 -0.75 . . . . 0.0 111.966 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.9 ptp -94.93 -25.0 16.73 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.775 0.321 . . . . 0.0 110.404 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.497 ' OD1' ' HD3' ' A' ' 23' ' ' ARG . 3.6 m-20 -89.32 -12.49 40.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.048 178.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.4 t -118.95 109.56 27.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.633 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.5 135.06 49.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.805 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -67.67 -29.95 69.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.426 -175.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -69.07 -24.37 64.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.395 0.617 . . . . 0.0 110.068 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.433 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 24.8 m -90.42 11.38 21.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.728 -174.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.2 mt -110.04 106.66 21.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.392 174.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.1 m -119.05 117.31 33.61 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.712 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -55.27 132.6 53.19 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.481 2.121 . . . . 0.0 111.056 175.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.9 t -62.49 -20.5 64.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.636 0.255 . . . . 0.0 111.428 -175.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.48 -23.97 67.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.162 0.506 . . . . 0.0 110.673 177.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -116.37 -18.69 10.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.502 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -59.56 -38.89 82.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.511 -177.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.9 m -74.48 -10.44 13.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.713 0.292 . . . . 0.0 111.544 -177.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -100.35 116.79 33.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.035 0.445 . . . . 0.0 110.963 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.708 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . 18.7 m -86.86 117.51 25.65 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 174.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.8 p -79.95 114.94 19.24 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.172 0.511 . . . . 0.0 110.641 -178.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.4 m -106.58 -16.33 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.513 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -146.11 -75.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.55 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.0 t70 163.16 -53.81 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 114.081 -1.418 . . . . 0.0 107.854 -176.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.446 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 10.9 t70 -75.46 -37.63 60.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.513 -1.221 . . . . 0.0 108.792 175.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.7 t -98.92 125.72 52.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.42 178.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 67.4 mtt -131.84 144.81 51.17 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 176.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.708 ' HG3' ' HB2' ' A' ' 55' ' ' SER . 7.9 ptp180 -115.0 143.67 44.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.68 0.276 . . . . 0.0 110.973 179.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.8 116.45 24.9 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.98 121.68 6.63 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.918 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.9 mtm-85 -70.95 -36.88 72.77 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 122.459 -0.436 . . . . 0.0 111.083 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -57.25 -23.83 50.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.142 -177.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -62.7 -42.79 99.82 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.801 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.3 mt -70.73 -28.75 64.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.237 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.5 ' HA ' ' CD2' ' A' ' 73' ' ' LEU . 53.7 mt-30 -68.93 -22.11 64.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.675 177.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 71.6 mt -75.44 -37.16 37.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.201 0.524 . . . . 0.0 110.043 172.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.7 mt -75.53 -30.9 59.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.879 -175.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.5 ' CD2' ' HA ' ' A' ' 70' ' ' GLN . 4.5 pp -64.36 -23.37 67.27 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 121.181 -0.208 . . . . 0.0 111.092 -179.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -56.62 -34.5 67.31 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.013 176.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.425 ' HB3' HG13 ' A' ' 77' ' ' ILE . 26.7 mp0 -87.77 -36.87 17.06 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 72.04 7.61 5.82 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.689 171.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.539 ' HB ' ' HB3' ' A' ' 80' ' ' ARG . 1.4 pp -85.44 72.0 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.676 0.75 . . . . 0.0 111.811 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.531 ' HA ' HD12 ' A' ' 83' ' ' ILE . 17.0 m120 -60.65 -38.92 86.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.62 -177.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -76.15 -28.67 57.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.696 0.284 . . . . 0.0 110.96 -177.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.539 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 61.2 ttt180 -69.32 -54.81 12.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.023 0.439 . . . . 0.0 110.582 -179.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 83' ' ' ILE . 20.6 tp -86.83 -15.55 38.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.328 -175.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.52 ' OD1' ' HE2' ' A' ' 16' ' ' LYS . 0.9 OUTLIER 69.36 57.76 0.35 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.08 -179.405 . . . . . . . . 3 3 . 1 . 013 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' A' ' 78' ' ' ASN . 3.3 mp -73.7 125.78 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 176.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.641 ' HA3' HD22 ' A' ' 87' ' ' LEU . . . -64.81 150.2 51.44 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.823 -0.626 . . . . 0.0 113.308 -176.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.536 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 46.6 mt-10 -71.22 -45.35 14.05 Favored Pre-proline 0 C--N 1.322 -0.619 0 C-N-CA 122.316 0.246 . . . . 0.0 111.425 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.536 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 51.6 Cg_exo -57.59 -21.9 48.94 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 121.845 1.697 . . . . 0.0 111.726 171.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.641 HD22 ' HA3' ' A' ' 84' ' ' GLY . 3.6 mm? -78.45 -37.05 44.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.668 177.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.2 mt -66.35 -39.34 89.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.828 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 18.6 m -70.35 -32.78 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.458 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.549 ' HB2' HD13 ' A' ' 8' ' ' ILE . 13.2 t80 -64.28 -29.15 70.25 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.347 0.594 . . . . 0.0 109.98 176.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.1 tp -73.43 -31.3 63.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.08 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -68.0 -62.52 1.37 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 175.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 62.3 mtm180 -146.45 168.09 22.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.355 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -124.19 127.5 47.82 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.215 0.531 . . . . 0.0 110.63 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.881 ' HB2' HG22 ' A' ' 3' ' ' ILE . 19.5 t70 -74.32 -30.4 62.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.089 -179.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.408 HD11 HG12 ' A' ' 99' ' ' ILE . 95.9 mt -112.04 143.57 29.0 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.179 175.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -51.73 -43.47 50.93 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.654 2.236 . . . . 0.0 111.947 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -148.09 114.57 5.96 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 173.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.408 HG12 HD11 ' A' ' 96' ' ' LEU . 32.1 mt -72.62 104.03 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 119.464 -0.894 . . . . 0.0 109.532 175.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.507 HG22 ' HB3' ' A' ' 63' ' ' ARG . 1.6 m -122.66 120.74 34.6 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 176.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -118.43 126.05 51.24 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.143 0.497 . . . . 0.0 110.24 -173.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.446 ' HA ' ' O ' ' A' ' 60' ' ' ASP . 13.4 pt20 . . . . . 0 C--N 1.317 -0.843 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.977 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 014 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.631 HG13 ' HB2' ' A' ' 95' ' ' ASP . 48.0 mm -69.56 134.32 30.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.928 0.394 . . . . 0.0 110.509 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.8 p -92.94 -175.2 3.81 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.394 -176.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.446 ' O ' HG22 ' A' ' 8' ' ' ILE . 9.2 t -78.97 -168.36 1.43 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.478 176.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.6 m -49.7 -22.36 1.35 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.541 0.736 . . . . 0.0 112.414 -176.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.33 -24.26 7.24 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 122.756 0.423 . . . . 0.0 111.38 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.588 HD12 ' HB2' ' A' ' 90' ' ' TYR . 15.1 tt -59.7 -50.89 78.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.54 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.519 ' HB2' ' CH2' ' A' ' 54' ' ' TRP . 26.6 p -75.39 -29.77 59.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.068 0.461 . . . . 0.0 110.008 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -62.64 -39.04 92.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.761 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.92 -30.42 70.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.192 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.574 ' HB1' HD13 ' A' ' 87' ' ' LEU . . . -71.62 -34.91 70.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.387 0.613 . . . . 0.0 110.266 177.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -76.72 -17.71 58.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.241 177.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.25 6.44 48.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.566 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.1 mt -67.01 160.15 27.12 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 177.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.811 ' HB3' ' HZ3' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -129.79 143.28 50.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.79 0.329 . . . . 0.0 110.96 -178.13 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.38 151.66 7.9 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.941 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -114.04 116.47 29.22 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.47 HG12 ' CD2' ' A' ' 28' ' ' TYR . 2.5 t -95.99 123.99 48.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -176.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -141.32 -179.49 18.58 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.24 -175.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.519 ' O ' HG22 ' A' ' 41' ' ' VAL . 85.0 t80 -95.97 135.78 37.27 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.767 0.318 . . . . 0.0 110.727 -177.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -108.87 117.25 33.71 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 175.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -69.49 -29.36 66.98 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -173.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -70.45 -49.81 44.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.609 0.242 . . . . 0.0 111.357 -177.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.9 p -80.71 -21.16 41.45 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.927 0.394 . . . . 0.0 110.901 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.55 27.4 67.58 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.149 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.435 ' HG3' HG21 ' A' ' 29' ' ' ILE . 16.5 ptm180 -136.2 166.37 23.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.987 0.422 . . . . 0.0 111.076 -176.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.47 ' CD2' HG12 ' A' ' 19' ' ' VAL . 6.0 t80 -96.47 115.16 26.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.314 -178.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.435 HG21 ' HG3' ' A' ' 27' ' ' ARG . 2.6 pp -127.77 170.31 17.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.983 0.42 . . . . 0.0 112.033 -171.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.546 HG12 HD23 ' A' ' 81' ' ' LEU . 61.5 t -98.02 133.0 41.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.146 0.498 . . . . 0.0 111.43 -177.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -124.02 168.96 12.14 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 173.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -118.37 -4.18 10.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.218 0.532 . . . . 0.0 110.652 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.535 ' HB2' ' HB3' ' A' ' 36' ' ' SER . 6.4 m -103.59 122.15 44.38 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 171.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -64.57 -32.03 73.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.834 0.35 . . . . 0.0 110.978 -178.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -107.42 32.18 4.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.456 0.646 . . . . 0.0 110.286 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.535 ' HB3' ' HB2' ' A' ' 33' ' ' SER . 4.6 p -60.13 -42.61 95.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.536 177.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.429 ' HB2' HD11 ' A' ' 46' ' ' ILE . 88.8 m-85 -97.77 125.54 42.65 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.489 175.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.05 -98.65 2.51 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.252 -0.975 . . . . 0.0 111.833 -178.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 21.9 ptp -74.75 -10.95 60.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.326 0.584 . . . . 0.0 109.961 176.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.62 -57.86 4.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.503 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 21' ' ' PHE . 60.3 t -135.13 139.67 46.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.422 -177.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.75 136.03 57.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.418 0.449 . . . . 0.0 111.155 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -62.15 -20.64 64.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.542 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -68.27 -22.94 64.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.656 176.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.7 m -93.03 10.22 32.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.394 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.429 HD11 ' HB2' ' A' ' 37' ' ' PHE . 62.6 mt -112.11 109.77 29.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 175.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.0 m -121.41 126.17 26.6 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.215 -172.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -55.91 131.24 44.77 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.677 2.251 . . . . 0.0 111.534 175.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.456 ' HA ' ' HB3' ' A' ' 52' ' ' PHE . 9.2 t -64.76 -16.07 62.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.776 0.322 . . . . 0.0 111.069 -177.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.92 -30.85 71.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.704 177.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . 0.651 ' HA ' ' HD1' ' A' ' 54' ' ' TRP . 34.2 tt0 -116.85 -16.09 10.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.506 -177.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.456 ' HB3' ' HA ' ' A' ' 49' ' ' THR . 67.6 t80 -65.29 -23.12 66.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.227 0.537 . . . . 0.0 110.674 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.518 HG23 ' HB2' ' A' ' 12' ' ' ALA . 35.0 m -79.19 -8.87 11.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.105 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.651 ' HD1' ' HA ' ' A' ' 51' ' ' GLU . 97.0 m95 -101.13 136.24 41.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.511 0.672 . . . . 0.0 111.187 -176.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 55' ' ' SER . . . . . 0.466 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 46.1 t -117.92 112.8 20.81 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.678 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.9 t -69.96 121.8 18.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.984 0.421 . . . . 0.0 110.507 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.449 HG12 ' HD3' ' A' ' 63' ' ' ARG . 18.9 m -115.45 3.88 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.004 -178.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.513 ' HB2' ' HB ' ' A' ' 61' ' ' VAL . 1.6 mmt180 -161.34 -172.01 3.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.708 178.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.87 -47.53 84.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.081 0.467 . . . . 0.0 110.718 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -123.13 -22.4 5.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.389 -177.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.513 ' HB ' ' HB2' ' A' ' 58' ' ' ARG . 30.8 t -80.35 119.47 29.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.191 -176.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 65.7 mtt -114.35 158.62 21.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.863 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 55' ' ' SER . 29.1 ptt180 -122.13 151.51 40.88 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -78.07 115.08 17.54 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 173.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.74 131.88 10.99 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.151 -174.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.2 mtm-85 -69.46 -18.03 63.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.817 0.341 . . . . 0.0 111.472 174.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -67.43 -24.4 65.64 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -174.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -62.61 -34.92 77.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.214 0.53 . . . . 0.0 110.397 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.5 mt -66.6 -34.08 77.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.72 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.426 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 11.7 mm100 -60.38 -40.65 91.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.226 -178.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 67.6 mt -75.06 -44.0 44.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.998 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 71.9 mt -68.07 -32.88 73.52 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -176.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.3 pp -66.16 -26.3 67.36 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.83 0.347 . . . . 0.0 111.059 -178.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -68.02 -28.45 67.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.326 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -85.77 -37.97 18.72 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 58.75 55.25 4.77 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.762 0.791 . . . . 0.0 110.446 176.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.63 ' HB ' ' HB2' ' A' ' 80' ' ' ARG . 6.9 pt -130.42 49.12 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.184 -0.917 . . . . 0.0 109.542 -176.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.484 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 25.6 p-10 -53.6 -42.44 67.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.401 -0.818 . . . . 0.0 113.095 -171.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -78.46 -29.76 47.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.181 0.515 . . . . 0.0 110.454 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.63 ' HB2' ' HB ' ' A' ' 77' ' ' ILE . 20.8 mtp180 -68.73 -44.02 74.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.103 177.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.548 HD11 ' O ' ' A' ' 81' ' ' LEU . 2.5 tm? -83.63 -19.42 35.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.024 -178.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 81' ' ' LEU . 0.9 OUTLIER 77.41 34.82 0.35 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.592 178.587 . . . . . . . . 3 3 . 1 . 014 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.528 HD11 ' HB3' ' A' ' 81' ' ' LEU . 2.5 mp -59.76 121.26 7.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.928 0.394 . . . . 0.0 110.118 176.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.591 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -62.64 155.09 41.62 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.285 -0.87 . . . . 0.0 113.496 -176.038 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.542 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 2.0 mp0 -60.47 -47.75 95.47 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 85' ' ' GLU . 20.8 Cg_endo -61.59 -15.98 45.15 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 122.261 1.974 . . . . 0.0 112.746 176.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.591 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.1 mm? -72.57 -29.94 63.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.177 178.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.5 mp -74.16 -43.81 55.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.199 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 19.4 m -65.49 -32.71 59.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.904 0.383 . . . . 0.0 110.425 -178.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.588 ' HB2' HD12 ' A' ' 8' ' ' ILE . 85.4 t80 -56.46 -38.24 71.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.981 174.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.408 ' O ' HD11 ' A' ' 91' ' ' LEU . 2.9 tm? -73.5 -35.5 65.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.923 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.45 ' HA ' ' NE ' ' A' ' 92' ' ' ARG . 4.0 mmp_? -59.25 -54.29 48.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.085 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.615 ' NH1' ' HA ' ' A' ' 95' ' ' ASP . 3.0 tmm_? -159.95 101.72 1.45 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -66.56 131.05 45.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.166 0.508 . . . . 0.0 110.039 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.631 ' HB2' HG13 ' A' ' 3' ' ' ILE . 33.5 t70 -84.02 -54.41 4.87 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.544 -179.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 2.8 mm? -90.28 128.2 50.22 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 173.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 96' ' ' LEU . 52.3 Cg_exo -54.97 -50.79 12.03 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.761 2.307 . . . . 0.0 111.844 -178.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -134.94 103.81 5.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.559 176.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 61.2 mt -72.68 107.59 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.0 p -96.64 137.46 35.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.547 0.689 . . . . 0.0 112.386 -174.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.54 129.71 53.92 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.187 175.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 . . . . . 0 C--N 1.317 -0.807 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -176.972 . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 m . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.719 0.295 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 015 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.81 HG23 ' HB2' ' A' ' 95' ' ' ASP . 48.2 mm -75.48 145.13 11.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.163 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.466 ' HG1' ' HB ' ' A' ' 8' ' ' ILE . 45.9 p -92.54 178.87 5.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.254 0.549 . . . . 0.0 111.612 -177.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.413 ' O ' HG21 ' A' ' 8' ' ' ILE . 23.2 t -87.29 -169.61 2.69 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.698 178.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 m -50.76 -21.25 1.55 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.752 0.821 . . . . 0.0 112.327 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.62 -27.48 11.43 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 122.868 0.467 . . . . 0.0 111.354 177.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.54 HD12 ' HB2' ' A' ' 90' ' ' TYR . 13.7 tt -56.54 -36.48 48.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-O 121.043 0.449 . . . . 0.0 110.969 178.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.9 t -74.38 -32.16 62.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.623 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -74.19 -39.43 63.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.356 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.66 -30.32 71.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.443 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.439 ' HB3' HG21 ' A' ' 53' ' ' VAL . . . -67.08 -32.63 73.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.174 0.511 . . . . 0.0 110.593 177.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -76.12 -25.24 55.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.986 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.71 14.01 9.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.263 -175.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.3 mt -76.33 151.05 36.8 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 176.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.51 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 8.3 ptpp? -125.04 147.52 48.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.97 0.414 . . . . 0.0 111.244 -178.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.82 146.72 6.92 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.203 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -111.64 118.93 37.02 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.446 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 3.0 t -93.7 131.16 41.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -175.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.597 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -137.86 160.08 25.19 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.072 -176.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -91.82 134.16 35.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.929 0.395 . . . . 0.0 110.616 -178.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -106.51 111.23 23.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.684 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -76.34 -8.94 58.18 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -174.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -81.02 -45.03 17.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.094 0.473 . . . . 0.0 110.376 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.1 p -92.19 -20.71 20.91 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.057 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.27 34.2 46.69 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.118 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -137.13 170.19 16.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.96 0.409 . . . . 0.0 111.022 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -105.4 113.96 27.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.332 -176.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.72 ' HA ' HE22 ' A' ' 75' ' ' GLN . 2.4 pp -122.68 158.83 26.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.962 0.411 . . . . 0.0 112.084 -172.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.59 HG22 HE21 ' A' ' 75' ' ' GLN . 24.5 t -97.61 125.25 50.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.538 -178.081 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -113.6 141.1 47.6 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.102 176.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.9 12.0 32.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.56 0.695 . . . . 0.0 109.827 177.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 m -136.04 106.37 6.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.297 177.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -61.19 -30.52 70.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.07 0.462 . . . . 0.0 111.247 -177.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -79.49 15.57 1.26 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.038 -173.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 61.2 p -96.91 -6.22 36.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.064 0.459 . . . . 0.0 110.33 178.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -140.97 118.81 11.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.545 175.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.75 -90.61 2.08 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.014 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -106.04 11.11 31.88 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.176 0.512 . . . . 0.0 109.984 178.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -84.02 9.47 12.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.663 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.6 p -162.44 152.86 3.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.2 140.13 56.08 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 175.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -61.03 -32.38 71.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.065 0.459 . . . . 0.0 110.57 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.58 -15.8 63.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.919 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.597 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 67.0 m -94.07 -1.17 54.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.122 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.2 mt -105.21 103.18 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 169.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.4 m -129.19 123.6 21.76 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.891 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -56.73 133.67 59.51 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.464 2.109 . . . . 0.0 110.901 173.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.509 ' HA ' ' HB3' ' A' ' 52' ' ' PHE . 9.6 t -63.39 -17.56 62.76 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -175.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -62.44 -47.39 84.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.169 0.509 . . . . 0.0 109.884 175.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -88.41 -17.12 31.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.93 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.509 ' HB3' ' HA ' ' A' ' 49' ' ' THR . 63.4 t80 -63.2 -26.06 68.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 -178.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.439 HG21 ' HB3' ' A' ' 12' ' ' ALA . 11.5 m -87.03 -5.81 10.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.995 -178.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -112.36 119.61 38.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.1 0.476 . . . . 0.0 111.43 -177.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.2 t -99.89 114.04 27.0 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.694 175.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.7 p -67.16 117.17 8.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.207 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.1 m -109.49 -4.9 10.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.566 -177.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.445 ' HB3' HG12 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -164.86 -151.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.587 . . . . . . . . 3 3 . 1 . 015 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.41 ' H ' ' HG3' ' A' ' 58' ' ' ARG . 29.8 t70 -58.17 -59.28 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.336 -173.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -127.21 -21.86 3.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.887 0.375 . . . . 0.0 111.143 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.445 HG12 ' HB3' ' A' ' 58' ' ' ARG . 8.9 p -71.98 123.82 27.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-O 121.75 0.786 . . . . 0.0 111.578 -177.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 59.1 mtt -117.0 155.13 29.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.087 176.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.512 ' HG2' HG22 ' A' ' 100' ' ' THR . 30.0 mtp180 -120.55 147.67 44.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.632 0.253 . . . . 0.0 110.694 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -80.58 123.36 28.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.124 -177.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -99.33 120.39 6.84 Favored Glycine 0 CA--C 1.519 0.292 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.298 178.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -68.1 -18.34 64.62 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.849 0.357 . . . . 0.0 111.578 -178.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.78 -24.35 66.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.708 -176.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.532 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 1.5 pp0? -56.72 -39.49 74.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.814 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.522 HD13 ' HG3' ' A' ' 68' ' ' GLN . 5.8 mp -65.8 -36.4 83.41 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.922 0.391 . . . . 0.0 110.696 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.626 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 17.2 mt-30 -73.07 -30.98 64.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -177.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.5 mt -74.06 -42.47 52.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-O 120.89 0.376 . . . . 0.0 110.165 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 59.4 mt -67.44 -28.25 67.73 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -177.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.2 pp -66.02 -26.28 67.45 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.047 -178.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -80.91 -18.12 48.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.999 0.428 . . . . 0.0 110.769 178.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.72 HE22 ' HA ' ' A' ' 29' ' ' ILE . 5.1 mm100 -79.59 -36.35 38.25 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.582 -178.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 66.42 10.62 7.43 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.245 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.9 pp -105.15 40.17 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.578 0.704 . . . . 0.0 110.461 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.477 ' HA ' HD12 ' A' ' 83' ' ' ILE . 2.1 m-20 -55.96 -32.86 64.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.49 -177.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -69.98 -32.04 70.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.215 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -84.33 -39.15 19.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.881 0.372 . . . . 0.0 110.854 -174.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 8.0 tt -76.03 -22.52 55.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.273 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.5 m120 61.16 73.66 0.47 Allowed 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.791 -178.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' A' ' 78' ' ' ASN . 3.0 mp -77.57 132.16 33.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.689 177.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.566 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -61.45 148.34 47.0 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.778 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.537 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 43.0 tt0 -63.41 -49.2 79.87 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -179.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 85' ' ' GLU . 12.4 Cg_endo -56.97 -19.44 32.34 Favored 'Trans proline' 0 C--N 1.359 1.092 0 C-N-CA 122.263 1.975 . . . . 0.0 112.57 176.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.566 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.0 mm? -70.12 -36.39 74.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.039 177.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.9 -32.23 69.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.08 0.467 . . . . 0.0 109.855 175.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 62.1 t -65.79 -39.73 85.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.957 175.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.54 ' HB2' HD12 ' A' ' 8' ' ' ILE . 68.0 t80 -60.28 -32.08 70.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.881 177.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 52.0 tp -68.81 -28.09 66.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.335 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -80.24 -65.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.228 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.806 ' HB2' HD13 ' A' ' 3' ' ' ILE . 27.7 mmt180 -142.43 172.52 12.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.596 ' OE1' ' HA ' ' A' ' 97' ' ' PRO . 5.7 pt20 -146.05 123.59 11.76 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.346 0.594 . . . . 0.0 111.119 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.81 ' HB2' HG23 ' A' ' 3' ' ' ILE . 11.3 t70 -58.48 -50.16 74.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.734 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.3 mt -119.7 117.49 32.58 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.146 174.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.596 ' HA ' ' OE1' ' A' ' 94' ' ' GLN . 55.6 Cg_endo -71.52 -24.87 21.77 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.373 2.048 . . . . 0.0 111.871 -178.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -112.87 84.57 2.01 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.054 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 66.4 mt -86.94 114.72 26.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.438 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.512 HG22 ' HG2' ' A' ' 63' ' ' ARG . 18.7 p -109.55 149.54 29.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.839 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -133.72 120.17 20.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.581 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 20.1 pm0 . . . . . 0 C--N 1.321 -0.634 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.422 . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 m . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.533 0.206 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 016 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.446 HD12 ' O ' ' A' ' 93' ' ' ARG . 47.2 mm -72.2 149.41 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.17 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.528 ' HG1' ' HB ' ' A' ' 8' ' ' ILE . 37.5 p -90.79 -176.67 4.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.951 -176.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -75.09 -171.68 1.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -51.88 -23.02 4.3 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.351 0.66 . . . . 0.0 112.067 -177.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -52.36 -26.25 11.86 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.67 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.571 HG13 ' HB2' ' A' ' 86' ' ' PRO . 12.8 tt -58.9 -34.37 52.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 120.908 0.385 . . . . 0.0 110.459 177.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.5 m -74.99 -35.76 62.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.116 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -74.0 -34.25 64.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.148 -177.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.22 -15.49 62.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.658 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.505 ' HB2' HG21 ' A' ' 53' ' ' VAL . . . -71.47 -15.92 62.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.152 0.501 . . . . 0.0 110.613 176.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -79.3 -16.39 56.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.049 178.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.32 -15.17 59.54 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.16 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.493 HD11 ' HA ' ' A' ' 12' ' ' ALA . 10.2 mp -65.19 121.2 14.21 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.524 ' HB3' ' HZ3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -115.64 144.62 43.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.763 -173.36 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.66 -173.08 19.91 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.206 -177.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.414 ' CZ ' ' HG2' ' A' ' 34' ' ' GLU . 66.9 m-85 -122.45 147.81 45.88 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.941 0.4 . . . . 0.0 110.371 -177.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.537 HG13 ' CD1' ' A' ' 28' ' ' TYR . 11.5 t -105.01 124.03 59.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 171.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.497 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -124.61 134.18 8.93 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.054 -1.07 . . . . 0.0 112.757 -174.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.497 ' HB3' ' HB3' ' A' ' 45' ' ' SER . 83.6 t80 -80.4 102.85 9.88 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 176.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -90.77 109.05 20.24 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.361 -176.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.5 ' HD3' ' O ' ' A' ' 40' ' ' ASP . 5.9 ptm180 -66.27 -14.03 61.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.603 -178.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . 0.442 ' HB2' ' HE2' ' A' ' 24' ' ' LYS . 18.0 ttmm -75.31 -35.67 61.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.009 0.433 . . . . 0.0 110.25 -178.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.2 p -100.89 -22.14 14.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.672 175.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.79 18.21 66.14 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.797 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -140.32 164.98 28.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 110.971 -175.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.537 ' CD1' HG13 ' A' ' 19' ' ' VAL . 3.6 m-85 -77.31 135.67 38.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.613 173.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 pp -132.59 160.03 42.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.714 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -82.71 135.26 25.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.274 0.559 . . . . 0.0 110.434 176.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.528 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 1.1 tpm_? -138.03 132.44 32.18 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -116.23 10.48 14.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.16 0.505 . . . . 0.0 110.479 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.573 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 7.1 m -118.52 116.66 27.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.869 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.414 ' HG2' ' CZ ' ' A' ' 18' ' ' PHE . 34.3 mt-10 -69.75 -27.69 65.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.331 -176.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -100.89 13.34 35.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.59 -177.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 36' ' ' SER . . . . . 0.573 ' HB2' ' HB2' ' A' ' 33' ' ' SER . 5.0 t -55.83 -58.65 6.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.081 -172.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -89.34 138.46 31.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.778 0.323 . . . . 0.0 110.872 -174.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.74 -94.25 0.73 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.996 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.65 -3.19 3.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.655 0.264 . . . . 0.0 111.285 178.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.5 ' O ' ' HD3' ' A' ' 23' ' ' ARG . 31.4 t70 -65.64 -46.11 80.48 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 174.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.487 HG21 ' HG2' ' A' ' 23' ' ' ARG . 49.7 t -106.33 136.07 42.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.785 177.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.51 141.93 56.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.731 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -73.27 -18.85 61.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.885 177.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.42 -16.04 63.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.112 176.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.497 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 49.8 m -91.57 1.21 57.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.715 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.8 mt -99.8 118.39 46.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.2 m -137.41 124.6 13.87 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.519 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.47 132.97 47.34 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.569 2.179 . . . . 0.0 111.194 177.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.458 HG23 ' HB3' ' A' ' 15' ' ' LEU . 10.0 t -65.33 -25.06 67.44 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -173.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.0 t -70.87 -30.4 66.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.926 0.393 . . . . 0.0 110.288 177.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -90.54 -32.16 16.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.253 0.549 . . . . 0.0 110.185 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -58.33 -29.92 66.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.908 -175.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.505 HG21 ' HB2' ' A' ' 12' ' ' ALA . 19.0 m -77.84 -20.34 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.792 0.33 . . . . 0.0 111.353 -177.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -102.83 136.71 42.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.943 0.401 . . . . 0.0 110.934 -178.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.7 m -114.63 105.89 13.59 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.898 174.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -71.3 115.26 10.25 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.8 m -123.22 -30.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -171.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.3 ttt-85 -147.58 124.34 11.2 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.179 -172.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 51.82 -102.61 0.13 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.627 0.58 . . . . 0.0 111.698 178.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -127.44 21.35 6.62 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.77 ' HA ' ' HA ' ' A' ' 102' ' ' GLN . 5.2 t -102.03 118.16 48.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.499 -176.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -106.68 128.12 53.93 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 177.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.522 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 3.6 ptm180 -100.11 147.71 25.37 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 119.754 -0.778 . . . . 0.0 109.693 178.458 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -70.3 113.63 7.65 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.87 94.95 1.0 Allowed Glycine 0 N--CA 1.441 -1.018 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.14 -15.76 4.19 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.976 0.417 . . . . 0.0 112.051 -176.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.88 -24.43 66.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.132 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.452 ' HG3' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -59.28 -38.46 80.23 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.696 0.284 . . . . 0.0 110.741 -178.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.452 HD13 ' HG3' ' A' ' 68' ' ' GLN . 3.9 mp -73.61 -33.29 64.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.746 0.308 . . . . 0.0 110.274 -176.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.469 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 14.6 mm100 -67.89 -33.98 75.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.159 178.29 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.7 mt -75.37 -46.79 37.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.113 176.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 25.4 mt -67.93 -25.06 65.28 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -173.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.4 pp -62.95 -24.46 67.89 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.537 -177.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -74.78 -18.91 60.4 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.034 0.445 . . . . 0.0 110.464 176.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -100.72 87.61 3.38 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 172.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -70.31 -8.26 49.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.989 -171.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.3 pp -79.79 67.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.3 0.571 . . . . 0.0 112.275 -177.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.493 ' HA ' HD12 ' A' ' 83' ' ' ILE . 52.7 m-80 -64.92 -27.87 69.14 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 174.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -60.45 -33.24 72.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.858 -1.065 . . . . 0.0 110.941 174.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -87.42 -54.01 4.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.3 -172.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.7 tp -79.12 -19.88 50.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.903 -176.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.1 t30 63.83 85.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.125 -177.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 78' ' ' ASN . 2.7 mp -94.42 132.68 37.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 174.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.605 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -56.22 148.03 29.91 Favored Glycine 0 C--N 1.33 0.209 0 CA-C-N 116.202 -0.454 . . . . 0.0 113.394 -175.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.446 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 4.0 mp0 -57.79 -52.75 72.12 Favored Pre-proline 0 C--N 1.324 -0.506 0 C-N-CA 122.463 0.305 . . . . 0.0 111.683 -178.045 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.571 ' HB2' HG13 ' A' ' 8' ' ' ILE . 20.2 Cg_endo -62.33 -17.3 56.64 Favored 'Trans proline' 0 C--N 1.358 1.051 0 C-N-CA 121.903 1.735 . . . . 0.0 112.349 177.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.605 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.0 mm? -70.23 -41.61 73.34 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 175.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.532 ' HA ' HD22 ' A' ' 91' ' ' LEU . 8.6 mp -64.69 -31.2 72.31 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.948 173.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.594 ' O ' ' HB2' ' A' ' 92' ' ' ARG . 85.3 t -62.77 -34.33 65.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.191 174.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -64.17 -36.76 85.12 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 175.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.532 HD22 ' HA ' ' A' ' 88' ' ' LEU . 2.6 mm? -65.4 -23.95 67.09 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.096 177.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.594 ' HB2' ' O ' ' A' ' 89' ' ' VAL . 8.5 mmm180 -59.64 -52.39 65.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.471 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.446 ' O ' HD12 ' A' ' 3' ' ' ILE . 13.4 tpt180 -163.14 123.64 2.31 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.538 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -78.08 72.19 4.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.669 0.747 . . . . 0.0 110.114 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.475 ' O ' ' HD3' ' A' ' 97' ' ' PRO . 20.8 t70 -66.26 -46.87 75.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.782 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.693 HD21 HG12 ' A' ' 99' ' ' ILE . 35.4 tp -97.04 103.12 13.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 176.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 95' ' ' ASP . 8.5 Cg_exo -72.18 -24.1 20.46 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.824 2.35 . . . . 0.0 112.248 -176.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -128.51 94.72 3.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.49 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.693 HG12 HD21 ' A' ' 96' ' ' LEU . 54.7 mt -94.19 120.38 43.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.557 171.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 63' ' ' ARG . 4.4 m -133.41 120.93 21.56 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -127.8 124.65 38.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.153 0.502 . . . . 0.0 111.16 -176.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.77 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 30.2 pt20 . . . . . 0 C--N 1.321 -0.66 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.047 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 m . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 120.748 0.308 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 017 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.647 HG13 ' HB2' ' A' ' 95' ' ' ASP . 33.4 mm -81.74 159.9 3.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.405 ' N ' HG23 ' A' ' 3' ' ' ILE . 35.0 p -92.5 -175.32 3.95 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.076 0.465 . . . . 0.0 111.501 -176.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 m -75.04 -170.25 1.09 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.326 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.0 m -51.2 -22.4 2.6 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.065 0.546 . . . . 0.0 111.766 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -51.87 -20.56 2.33 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.717 177.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.559 HD11 ' HB2' ' A' ' 90' ' ' TYR . 16.2 tt -55.23 -47.7 77.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.7 p -76.04 -29.65 58.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.032 0.444 . . . . 0.0 110.375 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -63.21 -41.13 99.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.569 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.13 79.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.865 178.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.95 -30.49 70.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.02 0.438 . . . . 0.0 110.851 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -75.01 -28.08 60.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.69 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.06 5.78 39.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.855 -176.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.513 HD23 ' O ' ' A' ' 82' ' ' ASN . 58.2 mt -71.36 128.73 36.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.828 0.347 . . . . 0.0 110.869 -179.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -114.08 145.21 41.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.971 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.558 ' O ' ' HA ' ' A' ' 48' ' ' PRO . . . 133.12 149.12 6.07 Favored Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -177.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -111.46 131.77 54.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.324 0.562 . . . . 0.0 110.942 -175.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.0 t -108.82 140.38 27.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.15 176.22 28.88 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.65 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -111.97 114.44 27.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.907 0.384 . . . . 0.0 110.503 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -87.86 107.12 18.53 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.64 ' HG2' ' HB3' ' A' ' 40' ' ' ASP . 9.8 ptp180 -77.86 -13.13 59.99 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -171.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -68.94 -46.63 67.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.1 0.476 . . . . 0.0 109.742 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.0 p -88.07 -25.3 23.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.552 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.89 29.68 50.64 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 -177.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -130.24 159.77 35.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 -176.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -79.23 141.81 36.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.421 173.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.7 pt -129.01 156.74 41.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.965 -176.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.748 HG12 ' HG ' ' A' ' 81' ' ' LEU . 59.2 t -117.99 114.93 46.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.528 173.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.663 ' HG3' ' H ' ' A' ' 33' ' ' SER . 28.2 tpt180 -123.63 147.0 47.77 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.756 -175.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -112.55 9.94 19.53 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.512 0.673 . . . . 0.0 109.777 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 33' ' ' SER . . . . . 0.663 ' H ' ' HG3' ' A' ' 31' ' ' ARG . 14.7 m -124.42 118.8 27.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.042 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . 0.408 ' O ' ' HD1' ' A' ' 37' ' ' PHE . 43.4 mt-10 -69.3 -22.06 63.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.882 0.373 . . . . 0.0 110.73 178.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -80.23 11.7 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.755 -175.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.6 m -99.45 -0.95 39.74 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -173.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.417 ' HD2' ' O ' ' A' ' 41' ' ' VAL . 4.4 p90 -95.61 132.74 40.45 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.917 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.49 -114.14 3.73 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.905 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.9 mmt -102.97 -10.27 19.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.018 0.437 . . . . 0.0 110.236 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.64 ' HB3' ' HG2' ' A' ' 23' ' ' ARG . 7.1 m-20 -83.27 -60.46 2.14 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.169 -178.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.417 ' O ' ' HD2' ' A' ' 37' ' ' PHE . 57.7 t -85.89 114.16 25.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.761 -177.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.41 154.37 29.02 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 172.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -66.86 -13.91 62.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.726 0.298 . . . . 0.0 110.986 -178.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.14 -27.61 66.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.026 0.441 . . . . 0.0 110.219 176.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.6 t -85.65 -14.01 46.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.471 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.3 mt -83.11 110.32 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.053 0.454 . . . . 0.0 110.093 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.1 m -136.95 124.59 14.38 Favored Pre-proline 0 C--N 1.318 -0.803 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.679 -179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.558 ' HA ' ' O ' ' A' ' 17' ' ' GLY . 32.1 Cg_exo -57.64 143.15 95.57 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.627 2.218 . . . . 0.0 111.387 175.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.6 t -61.44 -21.51 64.21 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -175.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.2 t -62.68 -56.75 14.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.181 0.515 . . . . 0.0 110.08 174.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -75.64 -11.62 60.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.75 -178.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -75.64 -40.04 56.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.103 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.44 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 34.9 m -79.33 -13.32 13.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -175.339 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -96.71 133.29 41.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.979 0.418 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.8 m -118.3 113.49 21.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.311 177.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.1 m -76.88 115.02 16.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.353 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.0 m -95.55 -25.09 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.971 0.415 . . . . 0.0 111.05 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -113.38 -73.34 0.67 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -170.13 -64.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 175.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -84.55 -34.82 23.17 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 172.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 35.3 t -72.05 108.59 3.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.85 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 44.7 mtm -111.99 145.14 40.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.948 178.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.49 ' HG2' HG23 ' A' ' 100' ' ' THR . 43.1 mtp180 -109.89 148.19 32.01 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -78.02 113.46 15.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.48 107.56 3.53 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.137 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.514 ' HA ' HD12 ' A' ' 69' ' ' LEU . 2.2 ppt_? -69.91 -18.59 63.4 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.319 -0.518 . . . . 0.0 111.912 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . 0.445 ' N ' ' HD2' ' A' ' 66' ' ' ARG . 7.0 mm-40 -63.03 -24.9 68.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.319 0.581 . . . . 0.0 110.531 177.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.44 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 10.1 mm-40 -70.34 -41.99 72.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.039 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 66' ' ' ARG . 7.6 mp -64.45 -28.77 69.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.438 -179.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -62.82 -34.43 77.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.798 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 54.2 mt -74.89 -33.14 29.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.185 0.517 . . . . 0.0 110.354 177.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.7 mt -74.48 -43.9 53.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.414 -176.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 pp -61.05 -24.23 66.05 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -175.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -58.6 -34.1 70.73 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.902 0.382 . . . . 0.0 110.439 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -98.21 96.0 7.79 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 175.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -79.47 82.62 5.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.243 0.544 . . . . 0.0 112.456 -167.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.447 ' HB ' ' HB3' ' A' ' 80' ' ' ARG . 1.0 OUTLIER -149.08 76.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.946 169.842 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -52.95 -44.38 67.05 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.093 -174.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -75.94 -36.97 59.16 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.066 -176.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.447 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 64.3 ttt180 -71.01 -51.03 27.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.378 . . . . 0.0 110.364 -176.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.748 ' HG ' HG12 ' A' ' 30' ' ' VAL . 2.0 tt -68.46 -25.13 64.84 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.513 ' O ' HD23 ' A' ' 15' ' ' LEU . 3.3 t-20 70.98 76.97 0.18 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.963 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.477 ' CD1' ' HB3' ' A' ' 81' ' ' LEU . 3.1 mp -104.01 125.75 58.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 171.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.604 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -59.87 146.62 44.71 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.373 -177.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.467 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 30.4 tt0 -62.98 -43.32 81.87 Favored Pre-proline 0 C--N 1.317 -0.822 0 O-C-N 122.913 -0.169 . . . . 0.0 111.366 -179.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.526 ' CB ' ' HA ' ' A' ' 8' ' ' ILE . 50.3 Cg_exo -57.58 -19.83 38.88 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 122.006 1.804 . . . . 0.0 112.465 171.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.604 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.3 mm? -78.58 -30.36 46.69 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 177.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . 0.559 ' O ' ' HG2' ' A' ' 92' ' ' ARG . 11.0 mp -64.8 -45.96 84.07 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.495 176.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 34.0 m -68.39 -33.21 59.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.263 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.559 ' HB2' HD11 ' A' ' 8' ' ' ILE . 70.3 t80 -62.77 -35.71 80.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.18 175.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.407 HD21 ' HA ' ' A' ' 91' ' ' LEU . 0.6 OUTLIER -70.52 -35.68 73.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.654 178.034 . . . . . . . . 3 3 . 1 . 017 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.559 ' HG2' ' O ' ' A' ' 88' ' ' LEU . 10.8 mmp_? -61.42 -57.54 11.8 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -153.92 137.46 15.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.225 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -81.66 134.28 35.46 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.139 0.495 . . . . 0.0 110.351 -179.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.647 ' HB2' HG13 ' A' ' 3' ' ' ILE . 29.2 t70 -86.27 -48.11 8.81 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.786 178.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.544 ' O ' HG13 ' A' ' 99' ' ' ILE . 94.1 mt -123.67 106.48 32.15 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.613 176.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -63.63 -4.05 6.42 Favored 'Trans proline' 0 N--CA 1.474 0.332 0 C-N-CA 123.159 2.572 . . . . 0.0 112.619 176.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -129.12 46.72 2.58 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.522 -175.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 96' ' ' LEU . 64.5 mt -71.65 109.43 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.267 0.556 . . . . 0.0 109.528 175.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 100' ' ' THR . . . . . 0.49 HG23 ' HG2' ' A' ' 63' ' ' ARG . 2.7 p -125.72 152.54 45.17 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.224 -175.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -127.81 125.24 39.43 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 174.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 . . . . . 0 C--N 1.321 -0.653 0 CA-C-O 121.065 0.46 . . . . 0.0 110.993 -178.301 . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.787 0.327 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 018 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.492 HG13 ' H ' ' A' ' 95' ' ' ASP . 34.2 mm -69.12 141.1 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.722 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.4 p -91.73 -173.81 3.65 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.026 -173.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 8' ' ' ILE . 10.6 m -65.41 -172.11 0.1 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.434 -176.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 m -52.75 -22.63 5.48 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.421 0.688 . . . . 0.0 112.296 -176.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.67 -28.31 14.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.933 178.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.549 HD11 ' HB2' ' A' ' 90' ' ' TYR . 15.4 tt -61.0 -39.2 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 120.943 0.401 . . . . 0.0 110.796 177.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.7 t -75.17 -33.07 61.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.525 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -72.97 -38.82 66.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.229 -177.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.57 -27.9 67.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.763 0.316 . . . . 0.0 111.0 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.72 -17.88 64.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.121 0.486 . . . . 0.0 110.831 178.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -90.02 -24.06 21.32 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.124 177.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.05 0.93 52.18 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.526 -176.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.533 ' HB2' ' HB3' ' A' ' 50' ' ' SER . 50.7 mt -65.15 125.58 25.44 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -122.0 146.32 47.27 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.911 0.386 . . . . 0.0 110.372 -177.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 121.64 148.86 7.95 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -175.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -112.09 129.21 56.3 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.815 0.308 . . . . 0.0 110.315 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.36 137.68 32.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.053 0.454 . . . . 0.0 110.41 176.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -147.5 145.38 13.97 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.369 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -78.26 114.12 16.85 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -88.66 118.21 28.17 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -64.76 -24.9 67.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.739 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -76.41 -52.14 10.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 111.102 -176.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.6 p -80.65 -26.67 37.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.168 0.509 . . . . 0.0 110.878 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.73 25.98 57.27 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.102 178.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -133.89 169.23 17.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.043 0.449 . . . . 0.0 111.309 -178.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -96.08 107.38 19.68 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 pp -116.65 158.38 17.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.991 0.424 . . . . 0.0 111.777 -172.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.5 p -104.4 148.71 8.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.432 -178.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.51 147.22 23.13 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -93.82 -5.13 48.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.023 0.439 . . . . 0.0 110.876 -178.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.4 m -119.84 110.48 16.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.44 -174.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -62.74 -30.83 71.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.706 174.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -70.2 -6.7 36.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.321 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.7 t -91.74 -1.71 57.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.184 0.516 . . . . 0.0 109.955 -176.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -106.66 121.14 43.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.412 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.72 -121.88 1.01 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.955 177.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -104.8 -7.22 19.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.901 0.381 . . . . 0.0 110.378 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -65.67 -47.98 73.68 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.496 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.6 t -99.41 119.75 47.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.239 176.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.22 145.54 55.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.029 -177.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -63.41 -29.49 70.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.558 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -79.67 -18.62 50.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.622 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 98.5 p -89.64 -9.64 48.89 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.987 0.422 . . . . 0.0 110.152 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.2 mt -79.81 102.15 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 174.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.8 m -124.46 129.65 24.59 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.565 -177.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -55.69 139.69 83.49 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.354 2.036 . . . . 0.0 111.151 173.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.469 HG23 ' HB3' ' A' ' 15' ' ' LEU . 7.5 t -59.04 -26.7 64.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.655 0.264 . . . . 0.0 111.375 -177.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 50' ' ' SER . . . . . 0.533 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 1.2 p -71.22 -42.89 68.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.061 0.457 . . . . 0.0 110.634 175.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -73.27 -23.48 60.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.213 0.53 . . . . 0.0 110.037 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -68.44 -45.09 73.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.3 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.5 m -72.54 -21.83 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.501 -175.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.488 ' HD1' ' O ' ' A' ' 50' ' ' SER . 98.9 m95 -91.79 120.75 32.79 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.136 0.493 . . . . 0.0 110.518 178.157 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.8 m -119.65 113.56 20.86 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.692 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.565 ' HA ' ' HA ' ' A' ' 62' ' ' MET . 10.7 t -72.59 127.73 33.44 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.41 -177.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.2 m -104.34 0.42 10.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.596 0.713 . . . . 0.0 109.749 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.444 ' HG3' ' H ' ' A' ' 59' ' ' ASP . 6.1 tpt180 -149.03 -154.14 0.54 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.432 -179.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.444 ' H ' ' HG3' ' A' ' 58' ' ' ARG . 36.0 t70 -89.56 -36.85 15.1 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.75 178.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . 0.531 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 7.4 m-20 -126.9 11.7 7.18 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.612 177.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.431 HG22 ' HB3' ' A' ' 102' ' ' GLN . 19.5 t -112.01 111.57 36.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.702 0.287 . . . . 0.0 110.304 -177.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.565 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 58.5 mtm -115.19 139.2 50.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.833 -177.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.564 ' NH2' ' HA2' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -107.45 142.05 37.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.322 176.339 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -76.44 117.85 18.52 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 173.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . 0.564 ' HA2' ' NH2' ' A' ' 63' ' ' ARG . . . -86.28 107.82 3.22 Favored Glycine 0 N--CA 1.443 -0.9 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.123 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.448 ' HB3' ' CE2' ' A' ' 90' ' ' TYR . 24.2 ptt180 -70.12 -27.18 64.36 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 122.496 -0.414 . . . . 0.0 111.241 176.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -63.89 -24.07 67.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.389 0.614 . . . . 0.0 109.965 177.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -70.45 -40.72 73.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.685 -178.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.4 mt -64.2 -29.05 70.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.528 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.404 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 23.4 mt-30 -73.66 -26.1 60.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.889 0.376 . . . . 0.0 110.951 178.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 66.6 mt -73.82 -36.55 46.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.534 0.683 . . . . 0.0 109.223 174.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.773 ' HB3' HD22 ' A' ' 81' ' ' LEU . 79.6 mt -75.42 -25.75 57.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.686 177.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.653 HD12 HD21 ' A' ' 91' ' ' LEU . 42.7 tp -54.44 -26.03 28.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.187 -178.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -66.03 -18.95 65.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.856 0.36 . . . . 0.0 111.127 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -99.82 111.52 23.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.938 176.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -84.46 2.06 42.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.306 -176.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.467 ' HB ' ' HB3' ' A' ' 80' ' ' ARG . 1.4 pp -90.27 74.54 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.569 0.699 . . . . 0.0 110.603 176.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -63.72 -30.76 71.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.254 -172.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -80.71 -35.99 32.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.884 0.373 . . . . 0.0 110.131 -179.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.467 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 73.2 ttt180 -69.43 -41.76 75.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.662 0.744 . . . . 0.0 109.592 176.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.782 ' HG ' HD12 ' A' ' 83' ' ' ILE . 21.2 tp -72.53 -19.79 61.46 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.311 177.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 68.53 27.13 6.28 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.624 -0.717 . . . . 0.0 112.773 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.782 HD12 ' HG ' ' A' ' 81' ' ' LEU . 1.4 mp -77.47 125.46 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.979 0.418 . . . . 0.0 109.934 175.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.466 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -66.84 164.8 42.52 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.661 -0.7 . . . . 0.0 113.77 -174.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.48 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 15.1 tp10 -62.61 -51.84 69.46 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 115.586 -0.307 . . . . 0.0 111.549 -179.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.538 ' HB2' HG13 ' A' ' 8' ' ' ILE . 16.7 Cg_endo -58.98 -24.36 72.81 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 121.937 1.758 . . . . 0.0 112.052 176.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.8 mm? -69.79 -36.48 75.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.764 177.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.78 -38.42 83.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.95 176.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.72 -41.69 93.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.895 176.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.549 ' HB2' HD11 ' A' ' 8' ' ' ILE . 33.4 t80 -62.92 -35.24 79.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.225 178.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.653 HD21 HD12 ' A' ' 73' ' ' LEU . 52.3 tp -73.06 -37.21 66.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.782 178.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -62.84 -63.73 1.12 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.623 0.249 . . . . 0.0 111.384 176.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -148.01 96.88 2.71 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.845 0.355 . . . . 0.0 110.079 -177.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . 0.431 ' HA ' HD13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -83.3 133.01 34.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.236 0.541 . . . . 0.0 110.738 -178.905 . . . . . . . . 3 3 . 1 . 018 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . 0.492 ' H ' HG13 ' A' ' 3' ' ' ILE . 16.4 t70 -86.33 -42.01 14.05 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.518 178.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . 0.486 HD22 HG12 ' A' ' 99' ' ' ILE . 3.3 mp -92.07 123.0 64.06 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.498 177.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.64 -37.46 28.72 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.302 2.001 . . . . 0.0 111.188 175.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -138.17 102.03 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.653 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . 0.486 HG12 HD22 ' A' ' 96' ' ' LEU . 59.3 mt -74.68 105.26 3.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 171.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.61 120.34 41.23 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.081 0.467 . . . . 0.0 110.751 -173.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.71 139.44 53.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.039 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . 0.531 ' HA ' ' O ' ' A' ' 60' ' ' ASP . 14.6 pt20 . . . . . 0 C--N 1.321 -0.636 0 CA-C-O 121.117 0.484 . . . . 0.0 111.06 -178.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.45 -0.455 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 0 0 . 1 . 019 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.7 mm -69.18 137.1 24.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.511 ' HG1' ' HB ' ' A' ' 8' ' ' ILE . 40.5 p -91.09 -178.12 5.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.413 0.625 . . . . 0.0 112.372 -167.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -79.47 -169.87 2.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.314 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.5 m -50.49 -22.75 2.07 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.798 0.839 . . . . 0.0 112.046 -178.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -52.1 -28.52 17.96 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 123.089 0.556 . . . . 0.0 111.653 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.555 HD12 ' HB2' ' A' ' 90' ' ' TYR . 14.9 tt -58.49 -37.07 62.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 120.844 0.354 . . . . 0.0 111.125 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.1 t -75.47 -34.73 60.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.04 0.448 . . . . 0.0 110.78 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -74.41 -40.01 62.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.99 -176.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.04 -15.78 63.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.791 -177.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.69 -23.98 65.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.214 0.531 . . . . 0.0 110.392 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -90.68 -1.43 57.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.612 0.72 . . . . 0.0 110.271 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.12 5.03 51.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.272 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.424 ' HB3' HG23 ' A' ' 49' ' ' THR . 10.5 mp -83.07 139.63 33.12 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.504 ' HZ1' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -122.3 153.6 38.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.953 0.406 . . . . 0.0 111.148 -176.653 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . 0.545 ' HA2' ' HB3' ' A' ' 32' ' ' PHE . . . 107.42 164.71 21.86 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.389 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -112.99 146.41 39.11 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.481 HG22 HG13 ' A' ' 30' ' ' VAL . 12.9 t -105.39 128.82 59.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 175.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.64 150.52 22.74 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.414 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -93.06 114.91 27.57 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -87.29 137.85 31.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.119 0.485 . . . . 0.0 110.386 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . 0.406 ' HE ' ' CG ' ' A' ' 40' ' ' ASP . 36.8 ptt180 -95.09 3.39 54.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.273 0.559 . . . . 0.0 109.569 177.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -67.09 -44.11 80.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.064 176.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 25' ' ' THR . . . . . 0.494 HG21 ' HG2' ' A' ' 27' ' ' ARG . 9.5 t -131.41 -9.82 3.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.189 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.58 44.65 7.76 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.601 177.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . 0.494 ' HG2' HG21 ' A' ' 25' ' ' THR . 31.4 mmt180 -127.4 150.91 49.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.772 0.32 . . . . 0.0 110.429 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -89.88 105.24 17.67 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . 0.726 HD13 ' HZ ' ' A' ' 37' ' ' PHE . 2.7 pp -117.55 166.35 11.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.617 -169.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.481 HG13 HG22 ' A' ' 19' ' ' VAL . 33.7 m -116.29 141.31 34.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.156 176.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -168.0 132.88 1.79 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.545 ' HB3' ' HA2' ' A' ' 17' ' ' GLY . 22.2 p90 -94.52 39.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.308 0.575 . . . . 0.0 110.992 -177.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.7 t -143.05 109.15 5.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.61 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -67.75 -25.2 65.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.036 0.446 . . . . 0.0 110.964 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -70.89 -10.07 58.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.608 -177.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.7 p -62.59 -27.12 68.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.411 -178.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.726 ' HZ ' HD13 ' A' ' 29' ' ' ILE . 65.2 m-85 -108.58 -64.53 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 111.147 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.45 -110.81 3.33 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.645 -178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.94 -4.23 56.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.316 0.579 . . . . 0.0 109.91 178.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . 0.406 ' CG ' ' HE ' ' A' ' 23' ' ' ARG . 24.6 t70 -72.12 -43.86 64.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.573 -177.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.6 t -135.27 128.05 48.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.952 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.45 146.1 54.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.861 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -74.68 -8.34 56.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.695 -173.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.95 -20.36 52.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.221 0.534 . . . . 0.0 109.756 175.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.3 t -83.27 -18.06 40.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.388 176.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.3 mt -91.13 116.77 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.803 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.0 m -122.73 124.8 26.57 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.049 -175.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.53 131.93 38.7 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.715 2.277 . . . . 0.0 111.193 175.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.424 HG23 ' HB3' ' A' ' 15' ' ' LEU . 13.5 t -63.3 -25.37 68.28 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -173.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.3 p -73.1 -24.26 60.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.956 0.408 . . . . 0.0 110.941 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -96.27 -25.64 15.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.277 0.56 . . . . 0.0 109.837 176.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -60.36 -36.7 78.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.395 -177.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.514 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 27.5 m -70.0 -19.02 22.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.497 -178.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -98.24 116.49 30.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.03 0.443 . . . . 0.0 110.135 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.8 t -103.27 112.63 25.6 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.203 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.9 t -69.82 116.67 10.48 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 16.4 m -119.51 9.61 6.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.059 -177.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.442 ' HB3' HG11 ' A' ' 61' ' ' VAL . 3.8 ttt180 -163.88 -162.34 0.7 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.941 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -59.46 -63.2 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.843 -175.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -127.78 14.96 6.97 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.442 HG11 ' HB3' ' A' ' 58' ' ' ARG . 14.5 p -114.47 130.39 68.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.46 0.648 . . . . 0.0 111.525 -178.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 67.8 mtm -116.48 134.9 54.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.673 177.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.464 HH21 ' HG2' ' A' ' 98' ' ' GLU . 7.4 ptm180 -95.98 134.8 38.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.224 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -73.01 111.86 8.51 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 175.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -96.91 115.15 5.16 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.54 -0.838 . . . . 0.0 111.65 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . 0.484 ' HA ' HD12 ' A' ' 69' ' ' LEU . 9.0 ptm180 -69.27 -19.38 63.92 Favored 'General case' 0 C--N 1.317 -0.804 0 O-C-N 122.324 -0.515 . . . . 0.0 111.409 177.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.0 pm0 -61.04 -24.82 66.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.125 0.488 . . . . 0.0 110.699 176.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.514 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 8.6 mm-40 -70.49 -38.93 74.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.732 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 66' ' ' ARG . 7.6 mp -67.82 -28.95 68.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.414 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.634 HE21 ' HA ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -65.28 -33.16 75.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.207 177.179 . . . . . . . . 3 3 . 1 . 019 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 66.6 mt -70.72 -43.23 77.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.07 0.462 . . . . 0.0 110.206 177.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.7 -33.41 75.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.375 0.607 . . . . 0.0 110.003 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 41.7 tp -66.58 -26.59 67.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.719 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -73.79 -34.56 64.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.369 175.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -65.93 -41.18 91.66 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 171.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 78.29 -12.67 1.05 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.901 168.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.447 HD13 HG21 ' A' ' 30' ' ' VAL . 1.7 pp -79.6 74.11 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.858 0.837 . . . . 0.0 111.496 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.492 ' HA ' HD13 ' A' ' 83' ' ' ILE . 26.5 t-20 -63.08 -38.07 89.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.767 -174.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -80.48 -28.97 37.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.659 0.266 . . . . 0.0 111.398 -176.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -73.59 -51.34 17.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.992 0.425 . . . . 0.0 110.607 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.499 ' O ' HD12 ' A' ' 81' ' ' LEU . 1.7 tm? -73.1 -29.46 62.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.335 178.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.5 t30 66.95 80.13 0.22 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.663 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' A' ' 78' ' ' ASN . 3.9 mp -94.56 127.78 46.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.302 176.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.553 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -58.72 148.58 38.52 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.858 -178.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.723 ' HG3' ' HD3' ' A' ' 86' ' ' PRO . 4.4 pt-20 -65.72 -39.37 31.28 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.723 ' HD3' ' HG3' ' A' ' 85' ' ' GLU . 34.9 Cg_endo -66.34 -15.4 47.98 Favored 'Trans proline' 0 C--N 1.361 1.213 0 C-N-CA 121.352 1.368 . . . . 0.0 111.815 174.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.553 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.6 mm? -77.16 -34.59 56.4 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 176.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 99.7 mt -67.5 -38.57 84.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.773 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.2 m -71.48 -33.35 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.555 ' HB2' HD12 ' A' ' 8' ' ' ILE . 49.6 t80 -65.76 -36.29 83.13 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 121.221 0.534 . . . . 0.0 110.404 177.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.0 tt -64.86 -23.25 67.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.166 177.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.586 ' HA ' ' NE ' ' A' ' 92' ' ' ARG . 3.0 mmp_? -88.54 -57.04 3.06 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.748 178.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -142.85 152.7 42.44 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -178.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -134.75 141.73 46.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.062 178.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -96.07 -21.3 18.05 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 175.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.9 mt -115.08 115.64 42.92 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.108 172.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.63 -44.22 41.53 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 123.009 2.472 . . . . 0.0 112.636 -177.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . 0.464 ' HG2' HH21 ' A' ' 63' ' ' ARG . 51.6 mt-10 -135.52 118.34 16.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.318 178.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 63.8 mt -88.91 104.88 15.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 174.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.5 p -101.77 133.64 46.18 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.539 -177.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.34 132.58 55.35 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.613 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.087 -175.515 . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 p . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 . . . . . . . . . 0 0 . 1 . 020 nuclear orig core ' A' A ' 3' ' ' ILE . . . . . 0.738 HG13 HH11 ' A' ' 93' ' ' ARG . 48.0 mm -77.75 142.51 14.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.116 0.484 . . . . 0.0 110.378 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 4' ' ' THR . . . . . 0.5 ' HG1' ' HB ' ' A' ' 8' ' ' ILE . 41.0 p -91.82 179.8 5.52 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.887 -177.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 5' ' ' SER . . . . . 0.442 ' O ' HG22 ' A' ' 8' ' ' ILE . 15.6 m -77.98 -170.45 1.92 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.429 176.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.0 m -50.63 -22.06 1.86 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.303 0.641 . . . . 0.0 112.593 -176.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.39 -21.84 4.04 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 122.863 0.465 . . . . 0.0 111.455 176.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 8' ' ' ILE . . . . . 0.534 HD11 ' HB2' ' A' ' 90' ' ' TYR . 14.1 tt -58.37 -38.21 68.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 111.089 177.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 9' ' ' CYS . . . . . 0.476 ' SG ' ' HH2' ' A' ' 54' ' ' TRP . 51.7 t -73.94 -30.49 62.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.296 0.57 . . . . 0.0 110.206 -178.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -74.16 -34.09 63.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.749 -177.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.45 -20.81 66.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.734 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 12' ' ' ALA . . . . . 0.516 ' HB1' HG22 ' A' ' 53' ' ' VAL . . . -64.99 -26.35 68.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.358 . . . . 0.0 111.352 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -87.21 -18.34 30.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.071 0.462 . . . . 0.0 110.553 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.72 -5.55 43.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.532 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 15' ' ' LEU . . . . . 0.54 ' CD2' ' HA ' ' A' ' 83' ' ' ILE . 54.0 mt -65.48 156.35 32.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.179 178.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 16' ' ' LYS . . . . . 0.516 ' HG2' ' HB2' ' A' ' 82' ' ' ASN . 17.5 ptpt -140.31 147.37 39.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.85 0.357 . . . . 0.0 110.768 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.39 162.82 13.67 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.867 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 18' ' ' PHE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 81.2 m-85 -114.61 159.55 20.32 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.795 0.331 . . . . 0.0 110.337 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 19' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 15.2 t -119.44 131.66 71.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 173.15 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 20' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -142.0 149.63 21.34 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.973 -176.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 21' ' ' PHE . . . . . 0.436 ' HA ' ' HA ' ' A' ' 28' ' ' TYR . 53.2 t80 -90.92 106.44 18.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.872 0.367 . . . . 0.0 110.677 -177.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -79.15 106.92 11.53 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 174.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -75.21 -16.05 60.51 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -174.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -64.84 -52.03 58.88 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -89.02 -18.26 27.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.034 175.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.39 44.6 16.55 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.535 177.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.8 mtp85 -136.9 149.78 47.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.001 0.429 . . . . 0.0 111.036 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 28' ' ' TYR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 21' ' ' PHE . 7.2 t80 -94.24 101.68 13.67 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 178.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 pp -126.82 -180.0 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -168.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 30' ' ' VAL . . . . . 0.533 HG23 ' HG3' ' A' ' 75' ' ' GLN . 34.5 m -83.16 141.5 14.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.31 0.576 . . . . 0.0 111.72 -176.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 31' ' ' ARG . . . . . 0.467 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 2.5 mmp_? -136.53 132.73 35.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.89 179.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 32' ' ' PHE . . . . . 0.506 ' CZ ' ' HG3' ' A' ' 80' ' ' ARG . 93.7 m-85 -111.75 26.75 10.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.855 0.836 . . . . 0.0 109.236 177.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.3 t -152.34 114.44 4.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.489 -1.232 . . . . 0.0 109.523 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -70.04 -29.48 66.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.451 0.643 . . . . 0.0 109.505 174.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -69.71 -12.71 61.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.713 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.1 t -61.1 -32.41 72.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.809 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 37' ' ' PHE . . . . . 0.602 ' HB2' HD13 ' A' ' 46' ' ' ILE . 56.2 m-85 -117.72 97.65 5.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.133 0.492 . . . . 0.0 110.526 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.53 14.39 7.7 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.675 177.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.8 ptp -149.87 135.59 18.49 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 69.17 -56.55 0.54 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.727 0.811 . . . . 0.0 112.414 178.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 41' ' ' VAL . . . . . 0.409 ' HB ' ' HB3' ' A' ' 37' ' ' PHE . 30.4 t -76.15 125.52 35.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.516 -176.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.82 148.63 40.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.546 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -68.54 -14.12 62.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.167 0.508 . . . . 0.0 110.622 -179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -68.73 -23.17 64.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.295 174.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 45' ' ' SER . . . . . 0.426 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 35.2 t -80.83 -0.98 41.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.233 178.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 46' ' ' ILE . . . . . 0.602 HD13 ' HB2' ' A' ' 37' ' ' PHE . 60.5 mt -111.89 103.28 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.719 178.104 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 56.2 m -119.53 127.41 26.45 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.687 -178.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 48' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 18' ' ' PHE . 22.1 Cg_endo -62.19 135.73 56.18 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.614 2.209 . . . . 0.0 111.405 175.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 49' ' ' THR . . . . . 0.521 ' HA ' ' HB3' ' A' ' 52' ' ' PHE . 9.9 t -63.8 -18.94 64.61 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -174.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 m -64.57 -35.51 81.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.021 0.439 . . . . 0.0 110.659 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -99.47 -22.25 15.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.361 0.6 . . . . 0.0 110.174 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 52' ' ' PHE . . . . . 0.521 ' HB3' ' HA ' ' A' ' 49' ' ' THR . 68.8 t80 -63.6 -24.0 67.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.983 -175.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 53' ' ' VAL . . . . . 0.516 HG22 ' HB1' ' A' ' 12' ' ' ALA . 10.9 m -85.15 -2.19 7.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.73 0.3 . . . . 0.0 111.379 -177.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 54' ' ' TRP . . . . . 0.476 ' HH2' ' SG ' ' A' ' 9' ' ' CYS . 88.7 m95 -108.48 120.89 43.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.006 0.432 . . . . 0.0 110.764 -178.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.5 m -112.05 128.67 56.26 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.419 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 56' ' ' SER . . . . . 0.517 ' HA ' ' HG2' ' A' ' 62' ' ' MET . 19.8 m -70.54 115.73 10.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.036 -178.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 57' ' ' VAL . . . . . 0.488 HG23 ' HG3' ' A' ' 63' ' ' ARG . 33.5 m -113.31 -1.04 9.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.371 0.605 . . . . 0.0 110.025 176.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 58' ' ' ARG . . . . . 0.438 ' HB3' ' HB ' ' A' ' 61' ' ' VAL . 9.8 tpt180 -148.62 -161.9 1.44 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -178.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 59' ' ' ASP . . . . . 0.4 ' H ' ' HG3' ' A' ' 58' ' ' ARG . 34.4 t70 -67.3 -62.85 1.22 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.772 0.32 . . . . 0.0 110.765 -179.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -112.92 -22.6 10.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.337 0.589 . . . . 0.0 109.842 176.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 61' ' ' VAL . . . . . 0.438 ' HB ' ' HB3' ' A' ' 58' ' ' ARG . 31.9 t -70.88 115.33 10.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.119 -177.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 62' ' ' MET . . . . . 0.517 ' HG2' ' HA ' ' A' ' 56' ' ' SER . 68.4 mtm -114.06 142.3 46.36 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.073 177.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 63' ' ' ARG . . . . . 0.488 ' HG3' HG23 ' A' ' 57' ' ' VAL . 26.8 mtm180 -101.83 161.89 13.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.812 0.339 . . . . 0.0 110.562 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.42 112.28 4.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.265 176.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.83 95.66 1.39 Allowed Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -65.79 -15.75 63.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.002 0.43 . . . . 0.0 111.134 -175.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.0 -23.02 66.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.142 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 68' ' ' GLN . . . . . 0.614 HE22 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -58.5 -31.82 68.23 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.876 -178.038 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 69' ' ' LEU . . . . . 0.542 HD13 ' HG3' ' A' ' 68' ' ' GLN . 6.3 mp -67.27 -33.57 75.58 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.937 0.398 . . . . 0.0 110.572 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 70' ' ' GLN . . . . . 0.585 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 16.3 mm100 -67.55 -31.05 70.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.386 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 63.6 mt -76.74 -40.68 32.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 176.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 72' ' ' LEU . . . . . 0.614 HD11 HE22 ' A' ' 68' ' ' GLN . 29.0 mt -63.48 -30.97 72.01 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -176.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 73' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.5 pp -58.64 -22.52 56.83 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 111.806 0.298 . . . . 0.0 111.806 -176.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -58.36 -39.13 78.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.766 0.317 . . . . 0.0 111.123 174.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 75' ' ' GLN . . . . . 0.533 ' HG3' HG23 ' A' ' 30' ' ' VAL . 14.8 mm100 -121.21 95.8 4.84 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 178.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -82.58 86.64 6.77 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -173.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 77' ' ' ILE . . . . . 0.471 ' HB ' ' CB ' ' A' ' 80' ' ' ARG . 1.1 pp -148.99 89.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.388 0.613 . . . . 0.0 111.181 177.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 78' ' ' ASN . . . . . 0.535 ' HA ' HD12 ' A' ' 83' ' ' ILE . 52.8 m-80 -72.6 -35.16 67.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.204 -175.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.69 -28.97 62.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.995 0.426 . . . . 0.0 110.215 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 80' ' ' ARG . . . . . 0.506 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 11.5 tpt180 -70.22 -52.91 19.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.779 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 81' ' ' LEU . . . . . 0.451 ' HB2' ' CD1' ' A' ' 83' ' ' ILE . 76.6 mt -83.74 -13.51 53.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.847 -178.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 82' ' ' ASN . . . . . 0.516 ' HB2' ' HG2' ' A' ' 16' ' ' LYS . 0.9 OUTLIER 65.45 48.02 2.15 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 -178.781 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 83' ' ' ILE . . . . . 0.54 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 4.0 mp -65.08 127.95 26.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 84' ' ' GLY . . . . . 0.56 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -62.88 145.91 50.12 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.871 -177.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 85' ' ' GLU . . . . . 0.506 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 44.0 mt-10 -62.13 -45.24 90.96 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 86' ' ' PRO . . . . . 0.506 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 52.6 Cg_exo -56.39 -20.9 34.62 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.207 1.938 . . . . 0.0 112.612 173.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 87' ' ' LEU . . . . . 0.56 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 2.7 mm? -76.04 -29.76 58.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.941 0.4 . . . . 0.0 110.079 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.7 mp -73.17 -43.23 61.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.686 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 89' ' ' VAL . . . . . 0.466 HG22 ' HA ' ' A' ' 86' ' ' PRO . 29.0 m -69.4 -31.98 51.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.734 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 90' ' ' TYR . . . . . 0.534 ' HB2' HD11 ' A' ' 8' ' ' ILE . 46.4 t80 -60.23 -28.06 67.71 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.003 0.43 . . . . 0.0 110.493 176.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 91' ' ' LEU . . . . . 0.433 HD11 HD21 ' A' ' 69' ' ' LEU . 62.9 tp -70.35 -30.73 67.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.682 178.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 92' ' ' ARG . . . . . 0.609 ' HE ' ' HA ' ' A' ' 92' ' ' ARG . 1.6 mmp_? -63.66 -55.49 23.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.144 0.497 . . . . 0.0 109.772 177.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig core ' A' A ' 93' ' ' ARG . . . . . 0.738 HH11 HG13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -157.34 145.53 19.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.713 174.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -92.48 157.32 16.62 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.844 0.354 . . . . 0.0 111.001 -178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -96.76 -52.06 4.05 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.346 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.1 mp -134.45 146.54 59.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.153 175.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.68 -27.6 12.54 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.482 2.121 . . . . 0.0 111.213 173.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -91.95 47.79 1.38 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.023 -176.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.8 mm -71.6 104.06 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 170.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.0 p -126.04 138.27 53.71 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.387 -167.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -121.48 125.64 47.33 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.633 174.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 . . . . . 0 C--N 1.321 -0.635 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.706 . . . . . . . . 0 0 . 1 . 001 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 120.872 0.368 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 m -95.03 166.6 11.85 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.368 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.526 HD13 ' HB ' ' A' ' 89' ' ' VAL . 39.4 mm -70.71 136.6 25.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.806 0.336 . . . . 0.0 110.242 -177.868 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.45 HG22 ' HG3' ' A' ' 86' ' ' PRO . 41.5 p -93.1 -179.99 5.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.729 -175.7 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -81.56 -170.6 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.863 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.9 m -51.52 -23.73 4.41 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.324 0.65 . . . . 0.0 112.307 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -52.39 -20.28 2.7 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 122.607 0.363 . . . . 0.0 111.732 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.537 HD13 ' HB2' ' A' ' 90' ' ' TYR . 17.0 tt -53.24 -33.89 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.1 175.762 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.2 t -65.78 -38.31 88.66 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.161 0.505 . . . . 0.0 110.744 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.448 ' HA ' ' OE1' ' A' ' 10' ' ' GLN . 11.9 mm-40 -74.08 -33.41 63.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.9 -177.318 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.69 -15.73 53.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.802 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.75 -15.77 61.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.996 0.427 . . . . 0.0 110.932 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -84.27 -19.8 33.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.477 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.87 -28.47 68.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.45 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 mp -62.04 128.73 37.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.166 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -132.41 147.96 52.4 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.882 0.372 . . . . 0.0 111.21 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.94 154.88 7.84 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.245 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -110.62 116.86 32.08 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.465 ' HB ' HG22 ' A' ' 30' ' ' VAL . 8.4 p -97.69 133.34 39.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-O 120.888 0.375 . . . . 0.0 110.474 -177.55 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.41 151.87 24.01 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.044 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -89.9 113.6 25.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.706 0.288 . . . . 0.0 110.322 -177.565 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -94.11 134.61 36.36 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.41 ' HD3' ' OD1' ' A' ' 40' ' ' ASP . 4.8 ptm180 -83.2 -4.98 58.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.341 -177.847 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -75.23 -46.64 32.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.926 0.393 . . . . 0.0 110.649 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.5 p -105.99 -12.47 15.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.63 47.54 48.63 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.584 178.541 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.532 ' HG3' HG21 ' A' ' 29' ' ' ILE . 5.7 ptp180 -149.65 161.92 41.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.128 0.489 . . . . 0.0 111.476 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -86.25 106.15 17.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.403 -178.665 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.532 HG21 ' HG3' ' A' ' 27' ' ' ARG . 2.7 pp -117.86 155.45 19.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.781 0.324 . . . . 0.0 111.617 -173.403 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.465 HG22 ' HB ' ' A' ' 19' ' ' VAL . 52.1 t -104.9 129.06 58.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.946 0.403 . . . . 0.0 111.479 -177.81 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 60.9 mmt-85 -126.85 169.5 13.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.687 175.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -114.18 0.52 14.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.175 0.512 . . . . 0.0 110.462 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.8 m -121.21 112.03 18.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.411 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.73 -23.08 63.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.289 0.566 . . . . 0.0 110.327 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -80.82 -0.43 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.861 -176.022 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 76.2 p -78.59 -23.22 46.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.797 0.332 . . . . 0.0 111.417 -174.393 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -107.05 130.48 54.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.22 -175.53 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.69 -109.68 2.93 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.03 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -95.43 -3.58 46.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.972 0.415 . . . . 0.0 110.774 -176.292 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.41 ' OD1' ' HD3' ' A' ' 23' ' ' ARG . 10.4 m-20 -80.07 -13.48 59.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.578 -178.128 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.1 t -134.59 131.63 54.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.231 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.55 126.74 30.46 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 175.771 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -66.0 -23.57 66.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.0 0.429 . . . . 0.0 111.084 -175.181 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -68.52 -22.6 64.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.896 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.7 m -89.83 -3.97 57.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.075 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.3 mt -94.44 116.47 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.126 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 28.4 m -141.6 134.74 14.29 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.856 -176.049 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -59.09 123.85 14.38 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.432 2.088 . . . . 0.0 111.09 172.627 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.588 HG21 HD23 ' A' ' 81' ' ' LEU . 11.9 t -60.55 -18.15 50.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.504 -178.047 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.2 m -59.31 -40.35 85.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.99 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -107.11 -7.82 16.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.191 0.519 . . . . 0.0 110.448 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -65.83 -31.44 72.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.826 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.53 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 28.7 m -76.89 -11.37 13.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.746 -177.938 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -95.9 123.12 39.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.657 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.3 m -111.11 107.75 17.21 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.124 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.476 ' HA ' ' HA ' ' A' ' 62' ' ' MET . 0.6 OUTLIER -73.28 117.66 15.29 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.244 0.545 . . . . 0.0 110.932 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.477 HG12 ' HD3' ' A' ' 63' ' ' ARG . 29.3 m -99.84 -22.95 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.49 0.662 . . . . 0.0 110.178 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.561 ' HB2' ' HB ' ' A' ' 61' ' ' VAL . 3.9 mpt_? -122.63 -168.22 1.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 169.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -63.43 -62.84 1.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.745 0.307 . . . . 0.0 111.036 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.598 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 19.8 m-20 -106.5 7.53 30.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.521 -175.947 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.561 ' HB ' ' HB2' ' A' ' 58' ' ' ARG . 18.5 t -105.44 108.72 25.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.748 0.308 . . . . 0.0 110.526 -178.67 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.476 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 69.1 mtm -109.16 141.91 40.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.477 ' HD3' HG12 ' A' ' 57' ' ' VAL . 76.2 mtp180 -110.96 136.09 50.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.512 175.856 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.49 ' HB2' ' HB ' ' A' ' 99' ' ' ILE . 0.5 OUTLIER -76.76 113.99 15.02 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.785 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.76 99.5 2.49 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.493 ' HA ' HD13 ' A' ' 69' ' ' LEU . 26.4 ptt180 -68.78 -15.3 63.47 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.39 -0.476 . . . . 0.0 111.905 -175.235 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -63.42 -23.11 67.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.664 0.269 . . . . 0.0 110.885 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.733 HE21 ' HA ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -60.35 -31.11 70.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.074 0.464 . . . . 0.0 110.305 177.433 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.493 HD13 ' HA ' ' A' ' 66' ' ' ARG . 9.9 mp -62.31 -27.64 69.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.057 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.452 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 23.1 mt-30 -66.38 -29.19 69.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.928 0.394 . . . . 0.0 110.641 178.468 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 63.8 mt -69.75 -32.89 53.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.415 0.626 . . . . 0.0 109.541 176.235 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 44.8 mt -75.22 -31.37 60.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.532 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.452 ' HB3' ' O ' ' A' ' 70' ' ' GLN . 56.9 tp -60.73 -32.38 71.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.395 175.404 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.417 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 31.4 mm-40 -60.66 -35.68 76.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.318 175.285 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -77.46 -34.28 54.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.486 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 68.33 15.97 9.27 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.32 0.581 . . . . 0.0 111.504 172.365 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.424 ' O ' HD12 ' A' ' 77' ' ' ILE . 1.3 pp -111.05 86.92 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.854 0.835 . . . . 0.0 111.423 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.54 ' HA ' HD11 ' A' ' 83' ' ' ILE . 18.8 m120 -71.76 -38.96 70.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.977 -173.78 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -79.72 -29.63 40.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.017 0.437 . . . . 0.0 110.636 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 65.5 ttt180 -66.82 -47.62 71.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.334 -179.593 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.588 HD23 HG21 ' A' ' 49' ' ' THR . 51.4 mt -77.76 -20.16 53.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.102 177.041 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 62.5 t30 64.82 62.47 0.75 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.478 0.656 . . . . 0.0 110.491 -176.82 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.54 HD11 ' HA ' ' A' ' 78' ' ' ASN . 3.9 mp -80.13 118.49 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.644 175.367 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.519 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -62.33 155.82 39.31 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.724 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.4 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 45.0 mt-10 -63.52 -42.94 76.69 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 111.714 0.265 . . . . 0.0 111.714 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.45 ' HG3' HG22 ' A' ' 4' ' ' THR . 76.2 Cg_exo -52.74 -28.21 37.12 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 122.089 1.859 . . . . 0.0 112.255 170.733 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.519 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 0.9 OUTLIER -77.35 -37.9 51.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.118 179.149 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.56 -41.75 99.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.728 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.526 ' HB ' HD13 ' A' ' 3' ' ' ILE . 30.6 m -74.86 -32.61 28.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.784 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.537 ' HB2' HD13 ' A' ' 8' ' ' ILE . 9.3 t80 -62.99 -25.78 68.54 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.222 0.534 . . . . 0.0 111.056 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.428 ' O ' HD21 ' A' ' 91' ' ' LEU . 8.0 tt -64.55 -25.34 67.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.569 176.819 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -100.58 -70.38 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.278 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.507 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 46.1 mtp180 -125.42 -175.1 3.23 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.723 ' HG3' ' HA ' ' A' ' 97' ' ' PRO . 1.0 OUTLIER -153.21 158.37 41.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.4 0.619 . . . . 0.0 112.533 -174.431 . . . . . . . . 3 3 . 1 . 001 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -89.94 -58.36 2.54 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 169.333 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -86.48 120.79 72.27 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 167.168 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.723 ' HA ' ' HG3' ' A' ' 94' ' ' GLN . 74.9 Cg_exo -48.21 -56.63 2.94 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.883 2.389 . . . . 0.0 111.563 -177.624 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -127.7 124.7 38.49 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.379 172.465 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.49 ' HB ' ' HB2' ' A' ' 64' ' ' LEU . 65.7 mt -71.93 110.46 5.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -111.12 129.84 55.81 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.012 -175.335 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -124.49 120.81 33.07 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.21 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.598 ' HA ' ' O ' ' A' ' 60' ' ' ASP . 12.1 pt20 -142.45 141.46 32.19 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.191 177.25 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 45.7 ptt85 -130.42 129.14 42.65 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.369 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.56 154.84 44.7 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.784 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.6 tp -128.51 21.36 6.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.657 0.742 . . . . 0.0 110.034 -177.271 . . . . . . . . 1 1 . 1 . 001 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.246 -0.883 . . . . 0.0 109.993 178.354 . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ppp? . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 . . . . . . . . . 0 0 . 1 . 002 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -68.93 165.12 20.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.698 0.285 . . . . 0.0 110.235 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.409 HG21 ' CB ' ' A' ' 95' ' ' ASP . 33.3 mm -88.05 146.75 5.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.549 ' HG1' ' HB ' ' A' ' 8' ' ' ILE . 33.3 p -91.46 -178.25 5.05 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.168 0.509 . . . . 0.0 111.772 -172.641 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.408 ' O ' HG23 ' A' ' 8' ' ' ILE . 31.7 t -80.62 -169.55 2.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.541 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.7 m -50.18 -21.19 1.23 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.538 0.735 . . . . 0.0 111.692 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -51.36 -24.18 4.48 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.174 175.806 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.581 HD13 ' HB2' ' A' ' 90' ' ' TYR . 16.3 tt -59.96 -39.45 80.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-O 120.878 0.371 . . . . 0.0 110.81 177.298 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.8 t -74.83 -28.63 60.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.275 0.559 . . . . 0.0 110.035 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -73.95 -36.25 64.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.177 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.75 -15.63 63.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.876 -177.354 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.6 -16.55 64.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.008 0.432 . . . . 0.0 110.822 177.263 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -79.39 -18.5 52.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.165 0.507 . . . . 0.0 110.563 177.356 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.46 -21.59 61.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.25 -178.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.52 ' HB3' HG23 ' A' ' 49' ' ' THR . 9.3 mp -64.15 116.87 6.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.31 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -124.7 145.1 49.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.861 -176.865 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 129.86 158.88 9.59 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.865 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -111.49 117.64 33.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.058 0.456 . . . . 0.0 110.152 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.561 HG11 ' CD1' ' A' ' 28' ' ' TYR . 8.7 t -95.53 135.62 29.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.961 -177.133 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.53 148.8 20.77 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.469 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -85.73 125.05 32.92 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.453 ' OD1' ' HG2' ' A' ' 24' ' ' LYS . 41.3 t30 -107.12 113.75 27.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.182 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -58.1 -35.84 72.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.714 -175.673 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.453 ' HG2' ' OD1' ' A' ' 22' ' ' ASN . 21.0 ptmt -77.38 -16.36 58.9 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.929 -173.927 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 p -103.24 -26.43 12.98 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.981 0.419 . . . . 0.0 110.689 175.533 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.46 21.31 72.93 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.789 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -140.67 167.72 21.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.02 0.438 . . . . 0.0 110.976 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.561 ' CD1' HG11 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -83.89 125.36 31.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.61 172.139 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 pp -117.84 153.66 19.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.452 HG12 HD13 ' A' ' 81' ' ' LEU . 10.5 t -118.74 132.33 68.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.762 0.315 . . . . 0.0 110.368 -178.267 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -124.21 156.65 36.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.992 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -82.07 -34.17 29.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.155 0.502 . . . . 0.0 109.955 -177.139 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.0 t -107.9 124.01 49.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.301 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.97 -16.57 63.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.325 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -77.21 -7.42 55.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.815 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.3 m -87.35 -8.56 56.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.814 -175.614 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -80.76 128.87 34.14 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.36 -175.25 41.95 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.645 -177.144 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.7 ttt -69.87 -13.23 62.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.327 0.584 . . . . 0.0 110.522 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -80.67 -7.98 59.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.108 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.0 t -112.55 139.14 38.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.415 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.65 137.19 45.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.695 0.283 . . . . 0.0 110.963 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -62.57 -44.68 95.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.341 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.37 -8.19 48.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.708 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.1 t -78.7 -30.58 46.1 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.3 mt -66.14 108.27 0.95 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.08 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.5 m -135.2 124.64 16.44 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.347 -177.958 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -53.39 132.46 48.59 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.429 2.086 . . . . 0.0 111.141 174.65 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.52 HG23 ' HB3' ' A' ' 15' ' ' LEU . 8.8 t -63.82 -17.34 63.02 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -174.578 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.43 ' O ' HG22 ' A' ' 53' ' ' VAL . 9.5 p -71.49 -50.86 27.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.992 0.425 . . . . 0.0 110.217 175.106 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -72.71 -23.02 60.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.64 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -56.49 -37.59 70.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.675 -177.684 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.43 HG22 ' O ' ' A' ' 50' ' ' SER . 22.6 m -80.89 -18.66 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.714 0.292 . . . . 0.0 111.622 -175.859 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -79.27 120.22 23.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.99 0.424 . . . . 0.0 110.33 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.489 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . 2.6 m -110.34 104.04 12.77 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.921 -178.582 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.0 m -76.04 115.14 15.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.735 -177.593 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.0 m -108.06 2.26 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.144 0.497 . . . . 0.0 110.446 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.475 ' HG3' ' H ' ' A' ' 59' ' ' ASP . 13.9 tpp180 -160.75 -174.5 4.46 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.475 ' H ' ' HG3' ' A' ' 58' ' ' ARG . 2.5 m-20 -49.45 -62.87 1.31 Allowed 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.082 0.553 . . . . 0.0 111.426 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -114.73 -17.0 11.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.982 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.452 ' HB ' ' HB3' ' A' ' 58' ' ' ARG . 48.4 t -71.97 108.5 3.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.137 0.494 . . . . 0.0 110.775 -178.375 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 67.8 mtm -116.98 145.06 43.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.967 177.043 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.489 ' HG3' ' HB2' ' A' ' 55' ' ' SER . 5.4 ptp180 -113.47 144.49 42.73 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 175.678 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.542 ' HB2' ' HB ' ' A' ' 99' ' ' ILE . 0.6 OUTLIER -73.84 110.59 8.25 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 174.622 . . . . . . . . 3 3 . 1 . 002 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.89 105.68 2.78 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.107 -177.107 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -69.77 -25.49 63.84 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 122.594 -0.356 . . . . 0.0 111.115 177.029 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -66.41 -22.89 66.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.308 0.575 . . . . 0.0 110.37 177.414 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -71.09 -33.92 70.64 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.74 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.7 mt -64.57 -27.8 69.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.809 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.485 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 15.4 mm100 -56.91 -34.87 68.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.785 178.313 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 55.7 mt -75.07 -35.99 36.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.316 0.579 . . . . 0.0 110.594 178.717 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.2 mt -75.19 -30.1 60.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.86 -175.878 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.5 pp -66.79 -25.28 66.39 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.105 -177.915 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -71.76 -3.22 20.75 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.609 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.44 ' C ' ' H ' ' A' ' 77' ' ' ILE . 69.4 mm-40 -84.11 -26.89 28.58 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 172.726 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 71.96 -34.15 0.29 Allowed 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.181 0.992 . . . . 0.0 112.285 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.44 ' H ' ' C ' ' A' ' 75' ' ' GLN . 6.7 pt -80.5 46.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 122.881 0.472 . . . . 0.0 111.734 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -51.66 -39.72 58.69 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -178.114 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.63 -44.64 81.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.086 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.418 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 29.9 ttt180 -68.52 -40.66 80.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.458 0.646 . . . . 0.0 110.527 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.452 HD13 HG12 ' A' ' 30' ' ' VAL . 20.7 tp -72.03 -8.41 54.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.573 179.121 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.2 t30 69.68 39.45 1.51 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.419 172.57 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.42 129.53 37.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.464 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.62 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -58.83 143.24 45.42 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.876 -177.396 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.537 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 39.8 mt-10 -60.22 -46.07 97.76 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.537 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 50.5 Cg_exo -57.28 -17.64 27.09 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.181 1.921 . . . . 0.0 112.64 174.475 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.62 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.5 mm? -76.54 -30.5 57.13 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.539 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.47 ' O ' ' HG3' ' A' ' 92' ' ' ARG . 9.0 mp -70.69 -45.03 65.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.367 176.858 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.466 HG22 ' HA ' ' A' ' 86' ' ' PRO . 23.1 m -66.44 -32.98 60.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.558 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.581 ' HB2' HD13 ' A' ' 8' ' ' ILE . 59.4 t80 -57.66 -40.62 79.74 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.02 0.438 . . . . 0.0 110.553 175.577 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 tt -69.61 -41.33 75.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.727 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.47 ' HG3' ' O ' ' A' ' 88' ' ' LEU . 80.0 mtp180 -67.91 -44.34 77.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.906 -178.95 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.402 ' HB3' HD12 ' A' ' 3' ' ' ILE . 43.1 ttt180 -149.6 113.59 5.13 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.157 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -88.43 96.8 10.74 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.451 0.643 . . . . 0.0 110.682 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.409 ' CB ' HG21 ' A' ' 3' ' ' ILE . 24.3 t70 -54.51 -49.16 70.86 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.349 174.547 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 97.3 mt -102.1 122.16 47.95 Favored Pre-proline 0 C--N 1.318 -0.791 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 168.63 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.5 -38.69 54.57 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.602 2.201 . . . . 0.0 111.916 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -150.15 120.01 7.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.631 176.511 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.542 ' HB ' ' HB2' ' A' ' 64' ' ' LEU . 73.4 mt -73.28 106.74 3.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 176.14 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.9 p -101.61 133.6 46.04 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.241 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.91 130.98 40.35 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.731 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.89 150.47 36.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.429 173.906 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -108.8 139.39 43.68 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.865 0.364 . . . . 0.0 110.148 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.412 ' HG3' ' O ' ' A' ' 104' ' ' GLN . 3.8 pt20 -65.71 105.55 1.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.403 0.62 . . . . 0.0 111.92 -176.293 . . . . . . . . 2 2 . 1 . 002 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 38.6 tp -89.76 -15.77 31.72 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 171.089 . . . . . . . . 1 1 . 1 . 002 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.582 ' HD3' ' C ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-N 114.537 -1.211 . . . . 0.0 108.576 176.896 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 120.657 0.265 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 003 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 p -80.41 157.6 26.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.715 178.066 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 39.2 mm -68.92 134.86 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.16 0.505 . . . . 0.0 110.932 -177.717 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.469 ' HG1' ' HB ' ' A' ' 8' ' ' ILE . 54.4 p -92.96 178.02 5.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.125 -178.063 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 m -82.53 -169.64 2.55 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.488 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 m -50.68 -22.49 2.09 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.256 0.623 . . . . 0.0 112.22 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -52.39 -22.11 4.31 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 122.834 0.454 . . . . 0.0 111.514 177.01 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.469 ' HB ' ' HG1' ' A' ' 4' ' ' THR . 14.6 tt -55.05 -41.06 57.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 122.514 0.326 . . . . 0.0 111.534 179.053 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.442 ' HB3' ' HH2' ' A' ' 54' ' ' TRP . 58.7 m -70.41 -35.01 73.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.247 0.546 . . . . 0.0 110.329 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -74.58 -32.99 62.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.765 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.81 -25.86 68.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.032 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.44 ' HB3' HD11 ' A' ' 87' ' ' LEU . . . -69.11 -18.75 64.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.179 0.514 . . . . 0.0 110.725 176.631 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -85.28 -5.11 59.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.467 0.651 . . . . 0.0 110.034 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.08 -2.86 56.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.61 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.422 ' HB3' HG21 ' A' ' 49' ' ' THR . 85.2 mt -68.39 141.04 55.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.674 177.046 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -125.75 145.13 50.33 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.56 -176.809 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.66 161.17 17.73 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.457 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.4 m-85 -111.66 157.2 20.73 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.55 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.6 t -120.67 134.39 64.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.427 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.13 152.6 24.66 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.957 -178.376 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -85.89 120.57 27.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.055 0.455 . . . . 0.0 110.509 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.516 HD21 ' HE1' ' A' ' 37' ' ' PHE . 28.1 t-20 -109.56 128.3 55.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.843 177.863 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.43 HH11 ' HD2' ' A' ' 23' ' ' ARG . 7.2 ptp180 -69.84 -24.24 63.42 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -174.306 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -78.27 -38.32 42.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.917 0.389 . . . . 0.0 110.281 -177.298 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.5 p -81.56 -26.37 35.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.13 0.491 . . . . 0.0 110.048 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . 0.438 ' O ' ' HD2' ' A' ' 27' ' ' ARG . . . 75.09 9.84 84.06 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.247 178.04 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.443 HH11 ' HD2' ' A' ' 27' ' ' ARG . 14.1 mmm180 -129.74 160.04 34.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.017 0.437 . . . . 0.0 110.768 -176.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -79.0 101.66 7.91 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 171.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.527 HG21 HE22 ' A' ' 75' ' ' GLN . 2.8 pp -116.66 159.14 16.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.099 0.476 . . . . 0.0 112.106 -167.584 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.478 HG12 ' HG3' ' A' ' 75' ' ' GLN . 34.3 m -83.27 148.55 5.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.947 -179.187 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -147.02 132.82 18.97 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -103.29 16.04 27.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.138 0.495 . . . . 0.0 110.337 -177.658 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.432 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 12.2 m -134.03 115.28 14.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.142 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.444 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 2.3 mp0 -66.33 -38.34 87.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.269 0.557 . . . . 0.0 110.06 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -71.62 -1.07 12.35 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.288 -177.786 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.432 ' HB2' ' HB2' ' A' ' 33' ' ' SER . 23.2 t -70.54 -23.86 62.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.308 179.205 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.534 ' HB3' ' HB ' ' A' ' 41' ' ' VAL . 83.7 m-85 -134.3 100.43 4.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.641 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.32 -111.58 3.61 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.955 178.704 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.6 mtm -80.6 74.92 7.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.0 0.428 . . . . 0.0 110.284 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -172.3 -41.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.671 -176.416 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.534 ' HB ' ' HB3' ' A' ' 37' ' ' PHE . 58.5 t -128.63 136.65 59.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.573 177.23 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.33 132.65 46.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.073 0.463 . . . . 0.0 111.58 -177.85 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.69 -19.81 65.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.149 176.966 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -68.44 -25.92 65.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.632 175.299 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.4 t -80.06 -37.06 34.67 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.445 HD12 ' HB2' ' A' ' 37' ' ' PHE . 60.7 mt -66.0 115.72 4.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.82 177.642 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.0 m -123.18 127.89 25.48 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.97 -176.814 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 19.2 Cg_endo -59.44 132.55 46.82 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.547 2.165 . . . . 0.0 111.381 175.476 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.422 HG21 ' HB3' ' A' ' 15' ' ' LEU . 8.8 t -65.11 -19.36 65.95 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -173.971 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.3 p -82.16 -11.62 58.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.765 0.317 . . . . 0.0 111.496 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -115.5 -24.37 8.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.186 0.517 . . . . 0.0 110.409 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -64.45 -18.52 64.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.388 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.6 m -83.7 -7.63 10.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.665 -175.422 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.442 ' HH2' ' HB3' ' A' ' 9' ' ' CYS . 97.8 m95 -105.61 122.88 46.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.965 0.412 . . . . 0.0 111.246 -178.219 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.5 m -109.77 125.28 52.53 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.981 174.254 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.6 m -76.96 115.57 16.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.964 0.411 . . . . 0.0 110.999 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.3 m -105.76 4.2 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.303 0.573 . . . . 0.0 110.352 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.563 ' HB3' ' HB ' ' A' ' 61' ' ' VAL . 9.2 tpt180 -169.28 174.61 6.01 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.455 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 4.7 m-20 -39.82 -63.8 0.55 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.2 0.6 . . . . 0.0 112.324 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.469 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 12.8 m-20 -123.33 23.42 9.05 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -178.798 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.563 ' HB ' ' HB3' ' A' ' 58' ' ' ARG . 21.4 t -106.47 109.53 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 177.58 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -109.37 135.93 49.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -104.55 145.2 30.64 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.65 119.18 20.83 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 173.226 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.674 ' O ' ' HG3' ' A' ' 68' ' ' GLN . . . -99.7 119.69 6.6 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.394 -0.907 . . . . 0.0 112.513 -177.828 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.8 OUTLIER -66.19 -13.23 59.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.861 0.362 . . . . 0.0 111.428 177.81 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -58.61 -29.46 66.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.597 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.674 ' HG3' ' O ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -65.6 -31.25 72.18 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-O 120.746 0.308 . . . . 0.0 110.335 178.972 . . . . . . . . 3 3 . 1 . 003 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.544 ' HG ' ' OE1' ' A' ' 68' ' ' GLN . 31.8 mt -65.57 -41.04 93.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.42 177.746 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.55 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 14.8 mm100 -63.94 -34.43 77.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.622 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.6 mt -75.5 -46.13 38.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.018 177.907 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 36.8 mt -66.63 -25.82 66.77 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -175.55 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.55 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.5 pp -66.24 -25.59 66.96 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.23 -39.1 93.67 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-O 121.041 0.448 . . . . 0.0 110.0 174.265 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.527 HE22 HG21 ' A' ' 29' ' ' ILE . 29.6 mm-40 -72.54 -49.66 31.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.578 176.833 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 74.39 -11.08 1.05 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.07 172.418 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.8 pp -79.25 68.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.706 0.765 . . . . 0.0 112.169 -177.723 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.573 ' HA ' HD11 ' A' ' 83' ' ' ILE . 4.8 p-10 -63.83 -29.43 70.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.657 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -72.72 -34.33 67.02 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.698 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -84.16 -50.04 8.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.841 -174.861 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.492 HD21 HD13 ' A' ' 83' ' ' ILE . 14.9 tp -80.11 -11.29 59.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.679 -177.75 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.68 43.86 1.75 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.956 176.744 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.573 HD11 ' HA ' ' A' ' 78' ' ' ASN . 2.5 mp -58.88 122.23 8.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 175.738 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.508 ' HA3' HD23 ' A' ' 87' ' ' LEU . . . -65.82 157.37 48.44 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.536 -0.757 . . . . 0.0 113.268 -174.847 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.539 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 21.1 mt-10 -67.98 -45.26 41.84 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 115.366 -0.417 . . . . 0.0 111.438 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.539 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 50.4 Cg_exo -57.46 -26.2 70.21 Favored 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 121.859 1.706 . . . . 0.0 111.722 171.268 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.508 HD23 ' HA3' ' A' ' 84' ' ' GLY . 3.7 mm? -74.16 -31.91 62.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.172 0.51 . . . . 0.0 109.74 178.761 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.08 -39.88 75.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.522 177.0 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.471 HG21 ' O ' ' A' ' 86' ' ' PRO . 9.0 m -71.36 -31.31 43.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.716 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -54.37 -42.7 70.62 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.05 0.453 . . . . 0.0 110.012 175.787 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.511 HD13 ' HB3' ' A' ' 69' ' ' LEU . 9.0 tt -65.8 -33.15 75.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.585 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 67.2 mtp85 -64.47 -57.15 10.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.69 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -175.64 128.22 0.25 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.574 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -118.08 144.53 45.55 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.739 172.085 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -65.02 -43.13 93.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.104 0.478 . . . . 0.0 110.294 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.7 mt -104.03 128.8 26.43 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.831 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -64.04 -40.92 24.79 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.551 2.167 . . . . 0.0 111.551 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -114.1 101.32 9.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.517 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 49.2 mt -84.08 105.44 13.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 174.037 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.2 p -98.02 130.06 44.86 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.944 -174.855 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -122.98 120.87 34.64 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.483 -0.78 . . . . 0.0 108.972 175.087 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.469 ' HA ' ' O ' ' A' ' 60' ' ' ASP . 20.0 pt20 -118.58 139.23 51.8 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.513 0.673 . . . . 0.0 111.944 -175.465 . . . . . . . . 2 2 . 1 . 003 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -90.45 -12.75 36.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.071 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -95.0 153.13 17.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.86 177.419 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 79.6 mt -97.6 22.26 9.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.005 0.431 . . . . 0.0 110.992 -174.078 . . . . . . . . 1 1 . 1 . 003 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.769 179.505 . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.484 1.233 0 CA-C-O 120.656 0.265 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 004 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -93.94 179.36 5.36 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.4 mm -68.7 134.75 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.289 0.566 . . . . 0.0 111.139 -174.663 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.6 p -93.11 -175.48 3.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.497 -176.154 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -85.77 -170.4 3.09 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.241 177.775 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.7 m -50.65 -21.83 1.76 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.454 0.701 . . . . 0.0 112.153 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -51.19 -22.38 2.58 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 176.415 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.551 ' HA ' ' HB2' ' A' ' 86' ' ' PRO . 18.6 tt -59.51 -37.37 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 120.926 0.393 . . . . 0.0 110.84 177.67 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.6 t -74.72 -33.85 62.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.335 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -72.92 -43.27 62.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.965 -176.077 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.82 -31.95 73.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.832 0.348 . . . . 0.0 111.265 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.51 -14.75 63.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.38 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -88.84 -23.0 22.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.097 0.475 . . . . 0.0 110.537 177.979 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.59 4.26 40.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.442 -176.88 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.48 ' O ' ' HB2' ' A' ' 50' ' ' SER . 55.2 mt -71.64 129.37 38.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.101 179.072 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -131.75 141.16 49.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.129 0.49 . . . . 0.0 111.07 -177.529 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 137.25 151.52 5.96 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 -175.487 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -116.27 117.49 30.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 117.635 0.718 . . . . 0.0 111.048 -175.959 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.58 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 10.7 p -108.76 127.31 65.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.878 -178.151 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.441 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -138.83 169.86 24.23 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.76 -173.64 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -92.65 113.72 26.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.954 0.407 . . . . 0.0 110.671 -177.923 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.475 ' HA ' HG22 ' A' ' 41' ' ' VAL . 2.8 t-20 -92.19 100.8 13.34 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 176.397 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -75.63 -14.98 60.39 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.785 -171.001 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -62.15 -37.57 85.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.472 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 6.6 t -100.67 -26.32 13.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.982 0.42 . . . . 0.0 110.426 177.225 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.56 24.21 34.08 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.847 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 41.2 mtp180 -127.66 162.35 26.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.063 0.459 . . . . 0.0 111.018 -177.972 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.422 ' CE2' HG23 ' A' ' 19' ' ' VAL . 11.4 t80 -100.76 111.75 24.03 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 pp -127.19 158.91 38.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.861 0.362 . . . . 0.0 111.675 -170.528 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.58 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 11.2 p -105.28 143.47 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.379 0.609 . . . . 0.0 111.645 -174.55 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.504 ' HE ' ' HA ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -132.4 161.42 33.68 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 174.268 . . . . . . . . 3 3 . 1 . 004 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -79.33 -40.44 30.29 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.223 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.8 p -109.22 138.77 45.07 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.539 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -70.45 -37.96 74.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.171 0.51 . . . . 0.0 111.349 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -85.48 17.7 3.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.153 -173.208 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.472 ' OG ' ' HG2' ' A' ' 31' ' ' ARG . 54.4 p -98.06 -11.25 23.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.151 0.501 . . . . 0.0 109.817 174.259 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.487 ' HB3' ' HB ' ' A' ' 41' ' ' VAL . 56.6 m-85 -71.68 145.13 49.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.818 175.513 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.0 -168.02 36.15 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.019 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -68.44 -3.79 12.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.642 0.258 . . . . 0.0 111.627 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -76.25 -45.76 31.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.058 0.456 . . . . 0.0 110.035 176.618 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.487 ' HB ' ' HB3' ' A' ' 37' ' ' PHE . 57.9 t -82.38 129.99 36.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.016 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.32 143.59 35.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.742 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -59.12 -37.41 77.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.389 0.614 . . . . 0.0 110.505 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -68.3 -21.55 64.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.813 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.441 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 14.9 m -92.26 1.97 56.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.24 -177.86 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.4 mt -96.35 123.76 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.753 0.311 . . . . 0.0 110.223 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 56.9 m -143.04 130.97 11.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.533 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -59.14 140.38 94.74 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.349 2.033 . . . . 0.0 111.171 174.098 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.0 t -61.25 -25.56 67.16 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -174.061 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.48 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 33.1 t -69.65 -44.73 69.97 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.686 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -79.0 -6.79 57.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.213 0.53 . . . . 0.0 110.174 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -81.19 -29.03 34.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.253 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 23.7 m -89.89 -25.35 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 110.554 179.103 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -92.2 114.57 27.15 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.1 0.476 . . . . 0.0 109.819 174.356 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 t -90.67 109.59 20.77 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.417 ' HA ' ' HG2' ' A' ' 62' ' ' MET . 7.2 m -76.69 113.68 14.6 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.7 m -101.31 -13.4 8.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.44 0.638 . . . . 0.0 109.668 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.522 ' HB3' ' HB ' ' A' ' 61' ' ' VAL . 8.0 tpt180 -153.3 167.44 29.35 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.4 -45.48 80.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.875 0.369 . . . . 0.0 111.367 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.63 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 15.2 p-10 -105.02 -7.36 19.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.791 -176.191 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.522 ' HB ' ' HB3' ' A' ' 58' ' ' ARG . 42.8 t -116.34 117.51 55.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.221 0.534 . . . . 0.0 111.487 -176.436 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.417 ' HG2' ' HA ' ' A' ' 56' ' ' SER . 52.5 mtt -126.17 162.74 24.69 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 175.333 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.465 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 8.8 ptm85 -137.51 152.88 49.97 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.856 177.399 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -87.61 128.02 35.27 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.915 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.437 ' O ' ' HG2' ' A' ' 68' ' ' GLN . . . -113.94 129.09 8.58 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.755 177.239 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.48 ' HB3' ' CE2' ' A' ' 90' ' ' TYR . 9.7 ptp180 -71.73 -31.15 66.39 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 122.148 -0.619 . . . . 0.0 111.801 179.024 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.486 ' HA ' ' CG ' ' A' ' 70' ' ' GLN . 43.1 mt-10 -63.31 -22.75 67.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.363 0.601 . . . . 0.0 110.84 -177.296 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.437 ' HG2' ' O ' ' A' ' 65' ' ' GLY . 5.8 mm100 -63.66 -42.39 98.08 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.135 177.172 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.645 HD23 HD13 ' A' ' 72' ' ' LEU . 93.3 mt -73.36 -28.58 62.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.661 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.565 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 12.9 mm100 -62.33 -28.23 69.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.076 0.465 . . . . 0.0 110.289 177.685 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 64.8 mt -75.46 -38.22 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.18 0.514 . . . . 0.0 110.553 175.252 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.645 HD13 HD23 ' A' ' 69' ' ' LEU . 93.5 mt -72.31 -25.44 61.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.044 -174.591 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.565 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.4 pp -64.8 -22.66 67.03 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.114 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -53.56 -37.57 63.03 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.897 0.38 . . . . 0.0 111.029 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.561 ' HB3' HG13 ' A' ' 77' ' ' ILE . 26.5 mp0 -83.05 -33.04 26.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 70.8 2.23 4.08 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.611 0.764 . . . . 0.0 112.494 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.561 HG13 ' HB3' ' A' ' 75' ' ' GLN . 1.8 pp -90.73 60.41 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.497 0.665 . . . . 0.0 111.615 -178.122 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -60.19 -27.83 67.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.759 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -67.46 -36.53 81.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.426 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -77.97 -43.0 31.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.01 -178.27 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.501 ' HB3' HD13 ' A' ' 83' ' ' ILE . 89.5 mt -68.51 -20.84 64.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.989 177.351 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.404 HD21 ' HA ' ' A' ' 82' ' ' ASN . 7.8 m120 69.58 23.82 5.78 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.387 -178.711 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.501 HD13 ' HB3' ' A' ' 81' ' ' LEU . 1.4 mp -59.22 126.12 16.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.705 175.107 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.553 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -83.03 177.19 53.24 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.724 -0.671 . . . . 0.0 113.885 -171.466 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.558 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 40.8 mt-10 -63.02 -48.07 85.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.502 -0.349 . . . . 0.0 111.635 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.558 ' HD2' ' N ' ' A' ' 85' ' ' GLU . 11.8 Cg_endo -56.84 -22.16 44.06 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 122.119 1.879 . . . . 0.0 111.755 173.971 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.553 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.0 mm? -79.08 -34.67 43.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.067 179.017 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.6 mp -70.15 -43.3 71.17 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.556 175.326 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.495 HG22 ' HA ' ' A' ' 86' ' ' PRO . 10.5 m -67.95 -31.85 53.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.612 -177.963 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.519 ' HB2' HD11 ' A' ' 8' ' ' ILE . 75.8 t80 -59.41 -37.13 77.22 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.451 176.622 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.502 HD23 ' HB2' ' A' ' 69' ' ' LEU . 89.0 mt -67.31 -33.85 76.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.383 177.18 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.403 ' HB2' ' O ' ' A' ' 89' ' ' VAL . 19.4 mmm180 -63.94 -58.58 6.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.854 175.83 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -161.68 173.98 13.93 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -140.85 133.25 28.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.269 0.557 . . . . 0.0 110.901 175.24 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -82.05 -42.67 18.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.462 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -83.95 119.1 72.96 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.613 177.504 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.88 -53.12 1.38 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 111.616 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -106.6 100.89 10.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.811 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.406 HD13 ' CE1' ' A' ' 90' ' ' TYR . 51.3 mt -99.56 105.14 17.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 172.751 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.465 ' HA ' ' HA ' ' A' ' 63' ' ' ARG . 20.6 p -125.1 161.3 27.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.733 -176.778 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -126.95 119.62 27.16 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.646 176.417 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.63 ' HA ' ' O ' ' A' ' 60' ' ' ASP . 13.5 pt20 -144.93 134.16 22.87 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.726 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -83.25 84.87 7.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.911 0.862 . . . . 0.0 110.716 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -91.61 -173.87 3.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.532 177.16 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.4 tt -81.28 -41.96 21.37 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.219 -176.795 . . . . . . . . 1 1 . 1 . 004 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.444 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 30.8 ptt180 . . . . . 0 C--O 1.251 1.148 0 CA-C-O 119.328 -0.367 . . . . 0.0 111.297 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.874 0.369 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 005 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m -103.1 172.61 6.71 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.417 HD11 ' HB ' ' A' ' 89' ' ' VAL . 43.5 mm -68.65 134.85 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.468 ' HG1' ' HB ' ' A' ' 8' ' ' ILE . 59.5 p -91.2 173.21 8.05 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.735 -176.086 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 t -74.73 -171.89 1.41 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.119 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.4 m -54.36 -22.12 11.38 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.101 0.56 . . . . 0.0 111.926 -177.708 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -52.18 -19.82 2.21 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.96 0.504 . . . . 0.0 111.571 176.931 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.539 HD12 ' HB2' ' A' ' 90' ' ' TYR . 15.2 tt -52.71 -34.52 19.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.66 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.9 p -74.65 -29.24 61.19 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.841 0.353 . . . . 0.0 110.943 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -69.63 -34.67 74.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.162 0.506 . . . . 0.0 110.63 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.34 -15.7 62.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.435 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.536 ' HB2' HG21 ' A' ' 53' ' ' VAL . . . -71.34 -17.76 62.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.961 0.41 . . . . 0.0 111.274 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 86.2 m-20 -83.28 -5.44 59.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.91 179.589 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.1 -3.13 58.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.988 0.423 . . . . 0.0 111.052 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.539 ' O ' ' HB2' ' A' ' 50' ' ' SER . 9.7 mp -82.83 122.65 28.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.094 178.631 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -120.51 138.46 53.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.042 0.449 . . . . 0.0 110.663 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 141.98 166.03 10.72 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.384 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.477 ' HB3' ' CG2' ' A' ' 46' ' ' ILE . 85.4 m-85 -122.41 117.58 26.35 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.046 0.451 . . . . 0.0 110.279 -177.801 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.467 HG22 ' HB ' ' A' ' 49' ' ' THR . 43.5 t -95.81 130.92 43.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.755 -178.832 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.21 158.84 23.8 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.369 -0.92 . . . . 0.0 111.959 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -94.27 112.56 24.36 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.756 0.313 . . . . 0.0 110.206 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.517 ' HB2' HG12 ' A' ' 29' ' ' ILE . 26.8 t-20 -83.51 104.05 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 176.381 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -69.22 -29.29 67.21 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.827 -173.942 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.409 ' HE3' ' HB2' ' A' ' 24' ' ' LYS . 37.5 ttmt -62.52 -51.46 67.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.655 0.264 . . . . 0.0 110.856 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.0 p -79.29 -23.51 43.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.92 0.391 . . . . 0.0 110.776 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.36 29.78 35.69 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.597 176.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.37 166.29 33.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.008 0.432 . . . . 0.0 111.593 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -75.57 137.46 40.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.807 -178.184 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.517 HG12 ' HB2' ' A' ' 22' ' ' ASN . 2.5 pp -126.93 153.75 36.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.461 177.444 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.2 t -105.92 120.42 56.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.96 0.41 . . . . 0.0 110.578 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.499 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 3.8 mmp_? -109.99 132.08 54.48 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 175.745 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.513 ' CZ ' ' HG2' ' A' ' 80' ' ' ARG . 98.9 m-85 -87.19 -13.79 42.97 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.427 0.632 . . . . 0.0 109.938 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.411 ' HB2' ' OG ' ' A' ' 36' ' ' SER . 9.8 m -129.96 129.0 43.22 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.579 172.016 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.98 -12.9 61.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.979 0.419 . . . . 0.0 110.653 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -86.79 -4.23 59.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.736 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.411 ' OG ' ' HB2' ' A' ' 33' ' ' SER . 15.6 m -90.26 26.92 1.78 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.013 0.435 . . . . 0.0 111.023 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 11.3 p90 -91.49 -169.65 2.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.829 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.37 -161.31 9.99 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.185 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.9 ptp -76.51 -18.32 58.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.086 0.469 . . . . 0.0 110.094 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -84.32 -58.77 2.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.862 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.8 t -76.11 102.91 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.179 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.17 142.22 52.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.19 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -74.47 -6.83 50.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.091 0.472 . . . . 0.0 110.578 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -86.58 -12.52 48.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.505 0.669 . . . . 0.0 109.635 174.864 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.3 m -101.02 16.67 24.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.251 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.477 ' CG2' ' HB3' ' A' ' 18' ' ' PHE . 68.3 mt -112.25 135.43 51.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.422 -177.917 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 47' ' ' THR . . . . . 0.404 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 90.6 m -140.71 130.06 13.07 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.615 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.404 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 8.8 Cg_endo -51.24 132.98 40.93 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.921 2.414 . . . . 0.0 111.73 176.106 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.467 ' HB ' HG22 ' A' ' 19' ' ' VAL . 11.7 t -64.25 -27.86 69.34 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -172.324 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.631 ' O ' HG23 ' A' ' 53' ' ' VAL . 23.0 t -67.92 -45.09 75.34 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.383 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -76.81 -14.93 59.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.358 0.599 . . . . 0.0 110.121 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -73.15 -30.19 63.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.465 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.631 HG23 ' O ' ' A' ' 50' ' ' SER . 4.2 m -81.96 -18.87 11.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.105 0.478 . . . . 0.0 110.252 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -87.86 127.37 35.34 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.218 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.3 m -107.73 102.21 11.45 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.886 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.507 ' HA ' ' HG2' ' A' ' 62' ' ' MET . 16.4 m -74.32 114.51 12.76 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 177.593 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.5 m -124.8 0.49 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.873 0.368 . . . . 0.0 111.458 -175.374 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 0.7 OUTLIER -157.41 162.85 39.01 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -178.467 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.83 -46.88 84.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.435 0.636 . . . . 0.0 110.73 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.0 t70 -104.72 -31.65 9.25 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.082 -175.586 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 20.0 t -102.85 126.33 57.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.889 -171.277 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.507 ' HG2' ' HA ' ' A' ' 56' ' ' SER . 69.4 mtm -124.81 153.54 42.35 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 172.248 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.511 ' HB3' HG23 ' A' ' 100' ' ' THR . 51.2 ptt85 -127.7 166.94 17.18 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.04 -178.688 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.6 128.51 34.78 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 176.983 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.459 ' O ' ' HG3' ' A' ' 68' ' ' GLN . . . -93.45 132.56 11.28 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.603 -178.24 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.487 ' HD2' ' CE2' ' A' ' 90' ' ' TYR . 9.7 mmm180 -70.31 -20.22 63.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.798 0.332 . . . . 0.0 110.531 175.145 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -53.62 -45.91 70.27 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.375 -174.544 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.581 ' NE2' ' HG ' ' A' ' 69' ' ' LEU . 2.8 pp0? -51.93 -33.94 39.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.998 -0.547 . . . . 0.0 112.467 -179.104 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.581 ' HG ' ' NE2' ' A' ' 68' ' ' GLN . 82.9 mt -59.44 -36.37 75.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.789 0.328 . . . . 0.0 111.3 -177.521 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.819 HE21 ' HA ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -65.01 -42.46 94.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.686 -173.615 . . . . . . . . 3 3 . 1 . 005 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.0 mt -76.27 -36.65 30.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.004 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.566 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 61.5 mt -72.31 -31.54 65.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.072 -176.531 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.5 pp -63.25 -24.35 67.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.608 0.242 . . . . 0.0 111.466 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.74 -22.6 64.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.938 0.399 . . . . 0.0 110.869 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -118.34 97.83 5.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.287 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -89.04 9.46 25.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.505 -175.523 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.425 HD11 ' HB2' ' A' ' 81' ' ' LEU . 1.4 pp -75.55 68.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.774 0.797 . . . . 0.0 110.838 176.218 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -59.77 -39.4 84.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.653 -174.796 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -59.09 -29.03 67.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.054 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.513 ' HG2' ' CZ ' ' A' ' 32' ' ' PHE . 38.4 ttm180 -93.54 -47.81 6.66 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.207 0.527 . . . . 0.0 110.824 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.425 ' HB2' HD11 ' A' ' 77' ' ' ILE . 13.0 tp -70.51 -21.06 62.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.161 -172.647 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.8 m120 69.08 31.04 4.22 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 173.578 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 mp -72.91 130.3 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.486 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -68.73 158.32 52.85 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.922 -177.079 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.542 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 5.5 mp0 -61.21 -48.22 92.31 Favored Pre-proline 0 CA--C 1.538 0.507 0 N-CA-C 111.679 0.252 . . . . 0.0 111.679 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.542 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 32.2 Cg_exo -60.6 -19.63 61.0 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 122.001 1.801 . . . . 0.0 112.193 175.405 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.486 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.7 mm? -76.38 -23.51 54.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.125 0.488 . . . . 0.0 109.936 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.5 mt -73.68 -40.87 63.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.523 177.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.417 ' HB ' HD11 ' A' ' 3' ' ' ILE . 26.8 m -71.79 -29.7 34.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.707 178.954 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.539 ' HB2' HD12 ' A' ' 8' ' ' ILE . 44.4 t80 -51.58 -28.34 13.71 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.281 176.309 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.485 HD21 HD12 ' A' ' 69' ' ' LEU . 59.3 mt -63.34 -32.85 74.39 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.055 0.455 . . . . 0.0 111.109 175.77 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.0 mtp180 -88.18 -44.6 10.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.567 -177.126 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -167.1 160.88 14.32 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 176.856 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.503 ' HB2' HD12 ' A' ' 99' ' ' ILE . 14.9 pt20 -112.06 156.55 22.02 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.406 176.4 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.57 -71.9 0.14 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.182 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.2 mt -81.4 148.93 64.14 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.899 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.29 -39.31 91.67 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.382 2.055 . . . . 0.0 110.951 174.33 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -129.42 102.6 6.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.08 171.84 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.503 HD12 ' HB2' ' A' ' 94' ' ' GLN . 52.9 mt -81.66 110.58 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.991 0.424 . . . . 0.0 110.315 -178.229 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.511 HG23 ' HB3' ' A' ' 63' ' ' ARG . 24.2 p -122.58 153.2 39.59 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.878 -176.709 . . . . . . . . 2 2 . 1 . 005 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.4 120.28 21.8 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.32 171.387 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -109.94 151.94 26.46 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.236 -174.515 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -45.88 117.12 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.206 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -83.63 96.28 8.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.471 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 93.1 mt -104.42 22.34 15.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.905 -177.51 . . . . . . . . 1 1 . 1 . 005 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.727 -0.654 . . . . 0.0 109.774 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.987 0.422 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 006 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.4 m -120.49 174.59 6.45 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.441 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.479 HD11 ' O ' ' A' ' 93' ' ' ARG . 47.1 mm -87.21 156.11 3.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 177.697 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.502 ' HG1' ' HB ' ' A' ' 8' ' ' ILE . 32.2 p -90.9 -175.85 4.48 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.016 0.436 . . . . 0.0 111.757 -174.042 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.541 ' O ' HG22 ' A' ' 8' ' ' ILE . 12.1 t -80.24 -170.17 2.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.29 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.3 m -50.83 -22.56 2.23 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.623 0.769 . . . . 0.0 112.152 -176.858 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.1 -26.76 11.93 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.758 176.239 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.581 HD13 ' HB2' ' A' ' 90' ' ' TYR . 10.6 tt -63.79 -42.51 96.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 120.9 0.381 . . . . 0.0 110.364 177.42 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.8 m -74.33 -33.38 63.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.14 0.495 . . . . 0.0 109.989 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -66.75 -44.36 81.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.665 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.08 -34.29 77.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.166 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.401 ' HB1' HD12 ' A' ' 87' ' ' LEU . . . -65.58 -31.03 71.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.16 0.505 . . . . 0.0 110.859 178.278 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -87.61 -15.14 38.16 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.316 0.579 . . . . 0.0 110.498 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.55 7.31 46.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.144 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.477 HD22 ' HA ' ' A' ' 83' ' ' ILE . 84.6 mt -65.54 124.85 23.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.229 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.417 ' HE2' ' HB3' ' A' ' 16' ' ' LYS . 16.5 ptpt -103.18 145.93 29.18 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.451 -177.769 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.64 168.55 15.43 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.14 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -118.27 165.17 14.15 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.885 0.374 . . . . 0.0 110.38 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 12.8 p -146.64 144.16 20.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 109.2 -0.666 . . . . 0.0 109.2 178.17 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.8 172.35 29.74 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.197 -177.133 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -104.84 118.56 36.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.7 0.286 . . . . 0.0 110.527 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -84.28 97.88 9.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 175.348 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.454 ' HD3' ' OD1' ' A' ' 40' ' ' ASP . 5.1 ptm180 -64.57 -17.62 64.12 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.997 -1.002 . . . . 0.0 112.495 -173.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -90.11 -28.77 18.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.614 0.245 . . . . 0.0 111.424 -175.857 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.3 p -96.26 -25.9 15.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.992 0.425 . . . . 0.0 110.677 176.17 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.2 24.48 40.36 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.526 176.965 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.1 ptm85 -131.64 155.45 47.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.071 0.462 . . . . 0.0 111.115 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -99.73 115.38 29.38 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.416 HD11 ' O ' ' A' ' 29' ' ' ILE . 2.7 pp -125.48 150.95 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.144 0.497 . . . . 0.0 112.331 -170.364 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.46 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 29.0 m -86.88 150.64 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.732 178.584 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.542 ' HE ' ' HA ' ' A' ' 31' ' ' ARG . 1.8 tpm_? -138.52 131.55 29.79 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.694 -178.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -87.29 -37.22 17.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.04 0.448 . . . . 0.0 110.157 -178.152 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.7 m -95.95 109.98 22.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.405 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -61.54 -23.51 66.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 -177.958 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -75.23 -9.83 58.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.036 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.478 ' HB2' ' HD3' ' A' ' 31' ' ' ARG . 20.6 m -78.49 58.49 2.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.189 0.519 . . . . 0.0 111.667 -176.255 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -143.54 168.85 18.89 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 176.121 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.95 -146.24 5.44 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.304 -0.951 . . . . 0.0 112.56 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.5 mtp -87.76 -21.48 25.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.217 0.532 . . . . 0.0 109.818 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.454 ' OD1' ' HD3' ' A' ' 23' ' ' ARG . 12.1 t70 -75.62 -41.56 54.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.134 178.387 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.6 t -84.75 128.25 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.352 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.57 145.68 38.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.022 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.9 -35.46 80.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.446 0.641 . . . . 0.0 109.705 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.8 -14.87 63.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.638 -176.154 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.7 t -76.26 -32.94 59.12 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.3 mt -73.47 107.8 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.259 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.0 m -122.38 131.15 24.43 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.348 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -55.33 133.4 57.86 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.117 1.878 . . . . 0.0 110.778 172.004 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.461 ' O ' HG11 ' A' ' 53' ' ' VAL . 7.1 t -58.72 -31.99 68.78 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -176.447 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 p -73.68 -25.0 60.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.966 0.412 . . . . 0.0 111.216 178.244 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -87.58 -21.15 25.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.214 0.53 . . . . 0.0 110.016 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -77.02 -29.28 55.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.214 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.461 HG11 ' O ' ' A' ' 49' ' ' THR . 13.0 m -79.39 -15.4 13.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.829 0.347 . . . . 0.0 111.285 -176.213 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -102.3 116.94 33.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.173 0.511 . . . . 0.0 110.391 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.4 t -88.11 129.14 35.39 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.7 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.41 ' HA ' ' SD ' ' A' ' 62' ' ' MET . 21.2 m -85.55 121.51 28.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.278 -178.536 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.432 HG11 ' HD2' ' A' ' 63' ' ' ARG . 16.9 m -129.87 13.33 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -173.762 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.438 ' HG2' ' CG ' ' A' ' 59' ' ' ASP . 38.3 ttt180 -168.62 -78.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.667 0.27 . . . . 0.0 111.344 177.428 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.438 ' CG ' ' HG2' ' A' ' 58' ' ' ARG . 2.9 p30 -161.03 -66.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.972 0.415 . . . . 0.0 110.795 -176.732 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -105.91 -23.72 12.61 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.411 ' HA ' ' HB3' ' A' ' 102' ' ' GLN . 47.3 t -71.75 111.52 5.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.875 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.41 ' SD ' ' HA ' ' A' ' 56' ' ' SER . 25.9 mmt -114.57 161.45 18.04 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.455 177.818 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.432 ' HD2' HG11 ' A' ' 57' ' ' VAL . 10.7 ptp180 -141.08 142.67 34.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.656 0.265 . . . . 0.0 110.54 175.141 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.93 115.86 7.14 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -178.866 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.804 ' O ' ' HG3' ' A' ' 68' ' ' GLN . . . -86.21 110.89 3.53 Favored Glycine 0 C--O 1.218 -0.873 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.673 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -61.77 -15.13 38.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.12 0.46 . . . . 0.0 111.896 -176.143 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.47 -24.56 65.62 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.718 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.804 ' HG3' ' O ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -64.14 -31.22 72.33 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.271 178.26 . . . . . . . . 3 3 . 1 . 006 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.467 ' HG ' ' OE1' ' A' ' 68' ' ' GLN . 28.5 mt -61.97 -43.27 99.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.777 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.54 ' HA ' ' CD2' ' A' ' 73' ' ' LEU . 42.7 mt-30 -65.79 -33.18 75.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.343 -176.338 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 64.8 mt -75.39 -45.09 41.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.699 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.646 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 61.8 mt -68.64 -30.05 68.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.201 -176.336 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.54 ' CD2' ' HA ' ' A' ' 70' ' ' GLN . 4.5 pp -63.15 -24.54 67.94 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.741 0.305 . . . . 0.0 111.078 -178.929 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -64.06 -20.75 66.16 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -104.99 110.85 23.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.189 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -87.24 2.4 50.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -175.913 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.3 pp -99.39 74.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.588 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -56.14 -35.04 66.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.762 -174.245 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -65.11 -45.68 84.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.393 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -82.07 -23.08 36.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.437 0.636 . . . . 0.0 110.111 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 1.05 ' HG ' HD13 ' A' ' 83' ' ' ILE . 21.9 tp -74.72 -24.91 58.81 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.107 176.266 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 70.16 23.45 5.22 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.316 0.646 . . . . 0.0 111.55 177.757 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 1.05 HD13 ' HG ' ' A' ' 81' ' ' LEU . 1.4 mp -86.35 139.13 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 -178.763 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.571 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -71.94 157.55 53.07 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.648 -0.706 . . . . 0.0 113.087 -177.217 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.481 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 47.3 mt-10 -65.84 -47.04 65.86 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -178.853 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.481 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 44.9 Cg_exo -58.68 -21.32 55.21 Favored 'Trans proline' 0 C--N 1.359 1.115 0 C-N-CA 122.005 1.803 . . . . 0.0 112.103 176.323 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.571 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.2 mm? -68.07 -35.32 78.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.257 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.577 ' O ' ' HG3' ' A' ' 92' ' ' ARG . 8.7 mp -68.1 -33.7 75.02 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.906 175.263 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.76 -41.56 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.632 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.581 ' HB2' HD13 ' A' ' 8' ' ' ILE . 28.6 t80 -65.25 -32.43 74.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.27 0.557 . . . . 0.0 110.527 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.6 tt -69.93 -26.13 63.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.76 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.577 ' HG3' ' O ' ' A' ' 88' ' ' LEU . 48.9 mtt180 -69.02 -46.72 67.26 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.723 -178.61 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.479 ' O ' HD11 ' A' ' 3' ' ' ILE . 7.0 ptm180 -161.58 157.08 24.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.991 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -95.74 163.91 12.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.834 0.349 . . . . 0.0 110.428 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 9.9 t70 -144.71 -58.46 0.36 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.596 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 90.9 mt -80.52 120.93 80.71 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.31 174.51 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 32.2 Cg_exo -58.44 -45.27 31.49 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.732 2.288 . . . . 0.0 112.326 -178.012 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -137.28 109.71 7.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.292 176.897 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 56.0 mt -83.23 106.28 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.93 0.395 . . . . 0.0 109.944 175.877 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.0 p -109.82 143.28 39.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.27 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -127.93 120.17 27.1 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.518 177.75 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.411 ' HB3' ' HA ' ' A' ' 61' ' ' VAL . 13.5 pt20 -154.49 115.46 4.01 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.176 0.513 . . . . 0.0 110.766 -175.11 . . . . . . . . 2 2 . 1 . 006 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -90.64 57.15 3.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.716 0.769 . . . . 0.0 109.247 -176.746 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -119.81 -57.94 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.12 -173.985 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.8 mt 63.02 34.84 13.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.264 -175.798 . . . . . . . . 1 1 . 1 . 006 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.232 -0.89 . . . . 0.0 109.412 176.305 . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 mmt . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 . . . . . . . . . 0 0 . 1 . 007 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 m -110.11 127.4 54.86 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.841 -177.208 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 mm -71.67 140.31 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 174.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.777 ' HG1' ' HB ' ' A' ' 8' ' ' ILE . 27.8 p -90.25 175.59 7.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.036 0.446 . . . . 0.0 111.858 -170.356 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.444 ' O ' HG22 ' A' ' 8' ' ' ILE . 9.6 t -75.44 -169.18 0.95 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.512 -178.387 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.2 m -49.86 -23.65 2.02 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.628 0.771 . . . . 0.0 112.244 -176.42 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.416 ' HA ' ' OE1' ' A' ' 10' ' ' GLN . 4.0 m-20 -52.44 -26.99 14.21 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 122.771 0.428 . . . . 0.0 111.652 176.448 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.777 ' HB ' ' HG1' ' A' ' 4' ' ' THR . 20.0 tt -61.69 -47.45 93.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.451 -178.472 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 24.2 p -75.73 -26.49 57.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.999 0.428 . . . . 0.0 110.645 178.81 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . 0.416 ' OE1' ' HA ' ' A' ' 7' ' ' ASP . 97.0 mt-30 -68.36 -35.0 77.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.466 178.068 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.6 -18.74 62.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.319 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.503 ' HA ' HD12 ' A' ' 15' ' ' LEU . . . -67.97 -17.82 64.55 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.31 0.576 . . . . 0.0 110.526 178.069 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -74.61 -17.17 60.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.806 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.57 6.91 38.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.714 -176.364 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.503 HD12 ' HA ' ' A' ' 12' ' ' ALA . 11.0 mp -80.85 143.9 32.41 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 176.425 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -122.12 138.08 54.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.787 0.327 . . . . 0.0 110.759 -176.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.27 -178.83 18.39 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.814 176.802 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -126.15 160.31 30.54 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -178.346 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.571 HG12 ' CE2' ' A' ' 28' ' ' TYR . 3.7 t -133.69 128.03 53.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.65 172.24 28.87 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.855 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -90.7 130.83 36.66 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.997 0.398 . . . . 0.0 110.886 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.496 ' HB2' HG12 ' A' ' 29' ' ' ILE . 44.8 t-20 -110.28 103.38 12.04 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.339 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -71.75 -21.62 61.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.006 -175.475 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.42 ' O ' ' HD2' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -67.82 -42.37 81.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -177.155 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.435 HG21 ' HG2' ' A' ' 27' ' ' ARG . 9.8 t -94.56 -14.55 24.92 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.655 177.408 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.71 40.16 22.99 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 121.223 -0.513 . . . . 0.0 113.35 174.643 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.435 ' HG2' HG21 ' A' ' 25' ' ' THR . 9.7 ptp180 -154.29 169.12 24.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.995 0.398 . . . . 0.0 111.015 178.104 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.571 ' CE2' HG12 ' A' ' 19' ' ' VAL . 3.3 t80 -88.67 127.28 35.57 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 175.453 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.496 HG12 ' HB2' ' A' ' 22' ' ' ASN . 3.7 pt -128.59 165.33 28.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.208 0.528 . . . . 0.0 111.565 -172.437 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.521 HG13 ' HG3' ' A' ' 75' ' ' GLN . 28.7 m -96.71 150.4 4.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.83 171.662 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.602 ' HE ' ' HA ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -144.92 132.46 20.89 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.735 . . . . . . . . 3 3 . 1 . 007 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -69.37 -30.39 68.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.806 0.336 . . . . 0.0 111.301 -173.891 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.1 t -136.08 146.57 47.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.49 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -69.34 -27.69 65.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.995 0.426 . . . . 0.0 110.313 177.026 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -72.24 -15.45 61.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.188 -178.38 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.1 m -77.16 6.16 7.05 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -174.412 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -176.38 5.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.567 0.222 . . . . 0.0 111.114 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.72 -122.47 2.41 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 175.141 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -104.4 12.58 33.26 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 173.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.36 -68.84 0.68 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.817 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.4 p -102.84 139.64 23.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.819 0.342 . . . . 0.0 110.568 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.91 158.76 16.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.277 176.403 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.91 -31.63 68.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.301 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.98 -20.08 63.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.293 0.568 . . . . 0.0 110.914 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.8 t -95.0 12.75 27.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.275 0.559 . . . . 0.0 109.764 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 62.4 mt -119.32 138.26 50.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.017 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.2 m -135.83 129.35 18.21 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.608 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.99 132.64 48.54 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.519 2.146 . . . . 0.0 111.294 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.412 HG23 ' HB3' ' A' ' 15' ' ' LEU . 11.7 t -62.21 -25.51 67.84 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -171.692 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 m -65.66 -35.67 81.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.057 0.456 . . . . 0.0 110.81 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -103.13 -12.34 17.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.316 0.579 . . . . 0.0 110.275 -176.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -66.79 -27.58 67.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.319 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.526 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 33.6 m -76.81 -5.56 7.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.808 -176.998 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -101.45 116.68 33.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.445 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.2 t -111.5 140.5 46.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.188 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.3 m -75.03 115.56 14.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.056 -176.479 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.417 HG12 ' HD3' ' A' ' 63' ' ' ARG . 28.2 m -122.6 -3.48 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.899 0.38 . . . . 0.0 111.517 -178.672 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.549 HH21 HG23 ' A' ' 100' ' ' THR . 3.7 tpp180 -137.29 -163.19 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.135 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -56.51 -70.77 0.11 Allowed 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.264 0.352 . . . . 0.0 110.964 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -126.05 19.83 7.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.547 0.689 . . . . 0.0 109.831 172.24 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.63 ' HA ' ' HA ' ' A' ' 102' ' ' GLN . 14.7 t -100.38 127.82 53.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.928 178.767 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 65.8 mtt -109.46 160.41 16.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.692 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.449 ' HA ' ' O ' ' A' ' 99' ' ' ILE . 15.5 ptt180 -119.95 150.8 39.92 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.373 177.99 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.27 109.88 6.31 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 172.507 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -107.79 113.06 3.81 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.912 -177.209 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.603 ' HB3' ' CD2' ' A' ' 90' ' ' TYR . 10.4 ptm180 -68.2 -15.47 63.59 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.596 -0.356 . . . . 0.0 111.524 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -56.54 -28.9 61.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.329 0.585 . . . . 0.0 110.327 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.526 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 9.1 mm-40 -72.51 -42.51 64.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.365 178.084 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.645 ' HB3' HD22 ' A' ' 91' ' ' LEU . 92.6 mt -67.5 -28.67 68.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.963 -178.573 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.569 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 14.3 mm100 -60.31 -36.8 78.76 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.083 0.468 . . . . 0.0 109.759 178.157 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 56.1 mt -69.18 -35.08 66.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.054 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.639 HD13 HD23 ' A' ' 69' ' ' LEU . 64.2 mt -72.07 -38.88 69.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.957 -177.177 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.593 HD22 HD21 ' A' ' 91' ' ' LEU . 4.5 pp -70.47 -26.45 63.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.795 0.331 . . . . 0.0 110.168 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -66.79 -27.52 67.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.447 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.521 ' HG3' HG13 ' A' ' 30' ' ' VAL . 31.5 mm-40 -69.67 -32.07 70.49 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 176.058 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 69.85 13.14 8.02 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.701 174.211 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.441 HD12 HG21 ' A' ' 30' ' ' VAL . 2.0 pp -112.99 54.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.27 0.557 . . . . 0.0 111.53 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.515 ' HA ' HD11 ' A' ' 83' ' ' ILE . 59.5 m-80 -60.77 -27.44 67.98 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.649 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -73.01 -28.1 62.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.872 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -79.23 -54.83 5.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.257 0.551 . . . . 0.0 110.814 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.451 HD23 HD13 ' A' ' 83' ' ' ILE . 12.0 tp -79.84 -19.7 47.75 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.158 -173.898 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 67.12 63.81 0.45 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.755 178.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.515 HD11 ' HA ' ' A' ' 78' ' ' ASN . 3.0 mp -77.35 129.86 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 174.761 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.586 ' HA3' HD21 ' A' ' 87' ' ' LEU . . . -62.87 160.67 33.77 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.818 -0.628 . . . . 0.0 113.642 -174.423 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.457 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 37.8 mt-10 -64.23 -53.15 49.4 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 115.506 -0.347 . . . . 0.0 111.663 -177.05 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.684 ' HB2' HG13 ' A' ' 8' ' ' ILE . 25.8 Cg_endo -62.75 -18.53 64.77 Favored 'Trans proline' 0 C--N 1.357 1.013 0 C-N-CA 121.964 1.776 . . . . 0.0 112.104 177.884 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.586 HD21 ' HA3' ' A' ' 84' ' ' GLY . 3.9 mm? -69.9 -36.12 75.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.404 . . . . 0.0 109.973 178.196 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.451 ' HA ' HD12 ' A' ' 91' ' ' LEU . 9.3 mp -67.64 -31.32 71.24 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.033 0.444 . . . . 0.0 110.199 174.997 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 48.8 t -67.65 -38.37 80.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.743 175.341 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.603 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 6.1 t80 -68.68 -23.61 64.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.382 176.893 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.645 HD22 ' HB3' ' A' ' 69' ' ' LEU . 86.7 mt -71.22 -22.36 62.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.65 175.291 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.561 ' HE ' ' HA ' ' A' ' 92' ' ' ARG . 2.4 mmp_? -78.12 -62.39 1.69 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.528 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -146.54 174.84 11.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.773 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -128.06 139.46 52.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.189 172.455 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.8 -33.7 14.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.288 0.566 . . . . 0.0 110.185 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.499 HD11 HG12 ' A' ' 99' ' ' ILE . 95.5 mt -101.97 139.51 20.38 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.653 177.238 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.82 -20.93 71.04 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.681 2.254 . . . . 0.0 111.673 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -173.91 125.31 0.36 Allowed 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.908 177.393 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.499 HG12 HD11 ' A' ' 96' ' ' LEU . 56.3 mt -91.17 104.61 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.301 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.549 HG23 HH21 ' A' ' 58' ' ' ARG . 3.4 p -100.45 137.75 38.44 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -171.169 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -143.05 127.42 17.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.696 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.63 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 27.3 pt20 -83.95 138.0 33.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.843 0.354 . . . . 0.0 110.56 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.3 mmm-85 -97.26 155.26 16.94 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 178.404 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -79.36 126.15 30.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.037 0.446 . . . . 0.0 110.713 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.62 -4.41 48.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.413 0.625 . . . . 0.0 110.331 176.782 . . . . . . . . 2 2 . 1 . 007 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 . . . . . 0 C--O 1.243 0.728 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.572 178.713 . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 120.753 0.311 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 008 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -69.76 159.82 32.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 -177.625 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.802 HG13 ' HB2' ' A' ' 95' ' ' ASP . 38.8 mm -97.72 152.16 4.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.856 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.2 p -92.12 -176.39 4.37 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.98 0.419 . . . . 0.0 111.322 -176.765 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 m -85.55 -169.58 2.71 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.872 -178.728 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m -50.51 -23.86 2.78 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -173.386 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -54.61 -19.99 7.14 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.461 0.304 . . . . 0.0 111.696 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.599 HD11 ' HB2' ' A' ' 90' ' ' TYR . 13.5 tt -52.87 -43.42 46.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.988 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.448 ' HB3' HG23 ' A' ' 99' ' ' ILE . 28.2 p -75.45 -29.27 59.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.025 0.441 . . . . 0.0 110.697 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -68.36 -34.71 76.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.514 -178.73 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.84 -28.66 68.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.984 178.38 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.678 ' HB3' HD12 ' A' ' 87' ' ' LEU . . . -70.71 -29.71 66.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.108 0.48 . . . . 0.0 110.626 179.003 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -76.66 -18.92 58.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.496 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.69 9.21 35.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.759 -176.57 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.1 mt -70.55 153.08 43.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.369 . . . . 0.0 110.62 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -113.24 158.41 20.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.131 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.47 153.65 29.29 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.628 -0.796 . . . . 0.0 113.152 175.869 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.571 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 77.0 m-85 -111.38 155.72 22.68 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.42 HG22 HG13 ' A' ' 30' ' ' VAL . 2.8 t -120.66 131.89 71.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 175.997 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.428 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -129.99 139.65 11.12 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.7 -175.964 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.501 ' HB3' ' HB3' ' A' ' 45' ' ' SER . 78.6 t80 -80.83 103.21 10.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.098 0.475 . . . . 0.0 110.137 178.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.559 ' HA ' HG23 ' A' ' 41' ' ' VAL . 26.0 t-20 -93.9 128.9 40.45 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.234 -178.695 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 -86.89 -7.73 57.92 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -174.189 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -80.19 -28.33 38.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.087 0.47 . . . . 0.0 109.783 176.74 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.6 p -105.22 -16.88 14.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.555 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.81 35.07 84.44 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.416 178.219 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.459 ' HG3' HG21 ' A' ' 29' ' ' ILE . 11.0 ptp180 -154.19 170.03 22.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.2 0.524 . . . . 0.0 111.862 -175.027 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -92.0 105.74 17.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.556 -178.345 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.459 HG21 ' HG3' ' A' ' 27' ' ' ARG . 2.6 pp -117.43 156.76 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 0.0 111.745 -174.602 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.42 HG13 HG22 ' A' ' 19' ' ' VAL . 23.3 m -91.41 138.99 18.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.271 0.558 . . . . 0.0 112.197 -174.915 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.559 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 12.0 mmt85 -149.24 131.94 15.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.197 176.932 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -79.64 -40.47 29.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.338 0.59 . . . . 0.0 109.555 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.2 p -93.77 102.92 15.08 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.4 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.473 ' HB3' HG22 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.38 -15.54 62.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 177.846 . . . . . . . . 3 3 . 1 . 008 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -80.25 3.73 19.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.226 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 62.4 p -84.1 -5.89 59.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.99 0.424 . . . . 0.0 110.83 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.559 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 65.9 m-85 -107.62 173.22 6.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.968 177.862 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.92 -93.71 0.4 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.175 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 66.3 mtt -110.64 7.05 22.18 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.296 0.569 . . . . 0.0 109.851 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -91.15 -12.56 35.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.695 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.559 HG23 ' HA ' ' A' ' 22' ' ' ASN . 92.8 t -140.09 122.59 16.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.256 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.22 149.97 46.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.318 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -65.5 -39.11 91.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.884 0.373 . . . . 0.0 111.167 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -71.15 -10.7 60.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.838 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.501 ' HB3' ' HB3' ' A' ' 21' ' ' PHE . 19.8 m -92.57 3.84 54.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.438 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.473 HG22 ' HB3' ' A' ' 34' ' ' GLU . 67.1 mt -113.77 118.48 58.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.017 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 94.3 m -141.07 132.91 13.86 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.822 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.571 ' HA ' ' HA ' ' A' ' 18' ' ' PHE . 12.8 Cg_endo -56.04 136.34 74.45 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.001 2.467 . . . . 0.0 111.682 177.651 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.538 ' O ' HG12 ' A' ' 53' ' ' VAL . 14.5 t -64.46 -28.2 69.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.863 0.364 . . . . 0.0 110.686 -176.641 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 p -71.45 -13.38 61.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.468 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -103.64 -30.66 10.32 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.122 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -63.85 -27.63 69.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.695 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.538 HG12 ' O ' ' A' ' 49' ' ' THR . 31.3 m -73.81 -9.7 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.971 178.062 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -105.58 140.8 38.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.059 0.457 . . . . 0.0 110.076 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.626 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . 17.1 m -103.81 96.97 7.05 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 172.326 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.7 t -65.01 115.71 5.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.878 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.5 m -114.67 -24.24 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.274 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -153.14 176.79 11.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.75 -36.79 83.27 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -173.331 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.439 ' OD2' ' HB2' ' A' ' 102' ' ' GLN . 33.1 t70 -116.18 -15.69 11.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.386 0.613 . . . . 0.0 110.531 -179.022 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.5 t -97.14 108.83 22.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.014 -175.067 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -118.66 133.61 55.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.891 174.813 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.626 ' HG3' ' HB2' ' A' ' 55' ' ' SER . 13.2 ptm180 -107.86 142.91 37.2 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 178.634 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.0 OUTLIER -71.48 116.96 12.44 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.489 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.33 92.38 1.58 Allowed Glycine 0 N--CA 1.442 -0.953 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.915 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -60.48 -15.07 23.28 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -66.83 -23.67 66.07 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 176.459 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -57.18 -32.75 66.77 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.888 0.375 . . . . 0.0 110.994 -179.534 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.492 HD13 ' HA ' ' A' ' 91' ' ' LEU . 37.3 mt -58.29 -42.64 87.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.007 -175.631 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -64.46 -38.75 92.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.436 -177.129 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 60.0 mt -74.25 -34.45 37.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.831 -177.43 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 26.9 mt -75.08 -39.27 60.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.337 -179.387 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.68 -25.44 65.69 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -176.311 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -80.9 -9.45 59.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.82 0.343 . . . . 0.0 111.429 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -80.82 -30.56 35.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.673 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.1 m120 75.95 -30.19 0.19 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.753 0.821 . . . . 0.0 112.156 175.006 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.655 ' HB ' ' HB2' ' A' ' 80' ' ' ARG . 2.2 pp -86.34 63.42 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-O 121.752 0.787 . . . . 0.0 112.836 -170.846 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -59.42 -35.23 73.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.594 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -62.3 -28.22 69.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.305 0.574 . . . . 0.0 110.746 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.655 ' HB2' ' HB ' ' A' ' 77' ' ' ILE . 80.3 mtt180 -87.14 -42.14 13.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.431 -174.92 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 41.3 tp -95.05 -28.78 14.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.691 0.281 . . . . 0.0 111.346 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 17.0 m120 64.73 86.57 0.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.619 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.4 mp -84.38 133.3 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.285 176.829 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.435 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -56.55 150.11 27.03 Favored Glycine 0 C--N 1.331 0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 113.4 -176.417 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.545 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 38.3 tt0 -63.89 -48.4 78.81 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 111.519 0.192 . . . . 0.0 111.519 -178.387 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.545 ' HD3' ' HB3' ' A' ' 85' ' ' GLU . 31.4 Cg_exo -63.49 -17.6 60.73 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 121.728 1.619 . . . . 0.0 111.757 175.294 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.678 HD12 ' HB3' ' A' ' 12' ' ' ALA . 3.8 mm? -80.09 -33.94 38.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.623 178.059 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.411 ' O ' ' HG2' ' A' ' 92' ' ' ARG . 96.6 mt -63.91 -39.43 94.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.618 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 22.8 m -76.01 -33.75 25.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.599 ' HB2' HD11 ' A' ' 8' ' ' ILE . 15.8 t80 -63.89 -36.95 85.6 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.178 0.513 . . . . 0.0 110.146 177.58 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.492 ' HA ' HD13 ' A' ' 69' ' ' LEU . 9.9 tt -64.65 -32.86 74.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.161 178.094 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.411 ' HG2' ' O ' ' A' ' 88' ' ' LEU . 18.4 mmm180 -74.5 -50.02 19.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 -178.55 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -152.56 132.43 13.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.154 0.502 . . . . 0.0 110.309 176.998 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -86.11 101.72 13.22 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.131 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.802 ' HB2' HG13 ' A' ' 3' ' ' ILE . 33.8 t70 -74.54 -32.22 62.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.084 178.182 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.6 mp -115.16 114.21 43.44 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 174.862 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.49 -57.84 1.74 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 123.053 2.502 . . . . 0.0 112.88 -176.066 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -133.35 100.97 4.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.884 0.373 . . . . 0.0 110.183 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.448 HG23 ' HB3' ' A' ' 9' ' ' CYS . 54.4 mt -80.43 115.6 23.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.631 -178.624 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.7 p -109.96 133.19 53.44 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.092 0.472 . . . . 0.0 111.118 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -121.95 139.22 53.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.499 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.439 ' HB2' ' OD2' ' A' ' 60' ' ' ASP . 7.9 pt20 -153.56 149.52 27.73 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.643 ' O ' ' HG2' ' A' ' 104' ' ' GLN . 4.1 mmp_? -109.11 -19.9 13.19 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -173.661 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.643 ' HG2' ' O ' ' A' ' 103' ' ' ARG . 3.2 pt20 66.59 146.67 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.352 1.061 . . . . 0.0 111.21 -178.141 . . . . . . . . 2 2 . 1 . 008 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 29.0 tp -124.27 15.22 9.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.489 0.661 . . . . 0.0 109.449 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.404 HH11 ' HD3' ' A' ' 106' ' ' ARG . 8.4 tpt180 . . . . . 0 C--O 1.246 0.888 0 CA-C-O 118.498 -0.763 . . . . 0.0 109.693 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.3 mtp . . . . . 0 N--CA 1.483 1.225 0 CA-C-O 120.658 0.266 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 009 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 m -80.07 -178.72 6.66 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 174.501 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.7 mm -68.73 147.93 11.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.532 ' OG1' ' HB3' ' A' ' 86' ' ' PRO . 40.7 p -91.45 -175.08 4.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.951 0.405 . . . . 0.0 111.524 -174.262 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 m -77.17 -169.73 1.46 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.7 m -50.93 -21.77 1.91 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.843 0.857 . . . . 0.0 112.546 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -51.84 -21.78 3.18 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 122.61 0.364 . . . . 0.0 111.807 176.263 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.738 HG13 ' HB2' ' A' ' 86' ' ' PRO . 18.9 tt -57.57 -38.56 64.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.92 0.391 . . . . 0.0 110.871 178.02 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 50.5 m -75.87 -30.72 58.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.084 0.469 . . . . 0.0 110.579 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -73.22 -42.51 62.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.087 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.98 -27.56 69.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.069 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.507 ' HB3' HG23 ' A' ' 53' ' ' VAL . . . -65.87 -20.96 66.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.163 178.754 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -80.44 -22.19 41.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.462 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.73 -10.0 59.62 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.682 -175.954 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.607 ' O ' ' HB2' ' A' ' 50' ' ' SER . 10.4 mp -67.85 120.22 13.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.29 177.565 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -116.65 151.38 36.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.901 0.381 . . . . 0.0 110.497 177.654 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 128.68 147.62 6.48 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -174.51 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.535 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 56.2 m-85 -111.3 126.0 54.44 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -176.9 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.0 t -94.63 124.8 47.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -177.587 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.32 148.39 20.09 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.82 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -85.23 118.34 24.72 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.52 ' OD1' ' HG2' ' A' ' 24' ' ' LYS . 46.3 t-20 -93.62 122.88 36.52 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.074 0.464 . . . . 0.0 110.166 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -64.38 -32.0 73.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.937 -175.484 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.52 ' HG2' ' OD1' ' A' ' 22' ' ' ASN . 18.3 ptpt -87.37 -16.63 34.42 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.458 -0.497 . . . . 0.0 112.037 -173.298 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.479 ' OG1' ' HB3' ' A' ' 22' ' ' ASN . 25.4 p -105.66 -26.13 11.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.045 0.45 . . . . 0.0 110.675 176.878 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.09 20.95 71.84 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.112 177.973 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -122.82 149.93 43.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.934 0.397 . . . . 0.0 110.953 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -88.48 96.59 10.67 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 171.58 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.4 pp -117.39 179.17 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -167.1 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.8 p -100.7 131.4 48.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.61 0.719 . . . . 0.0 111.221 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -125.71 136.5 53.26 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.362 175.732 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -90.73 4.17 52.29 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.274 0.559 . . . . 0.0 110.136 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -132.32 122.12 24.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.475 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -69.44 -41.2 76.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.394 0.616 . . . . 0.0 110.455 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -85.56 21.91 1.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.107 -173.562 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.5 p -77.85 -11.58 59.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.31 0.576 . . . . 0.0 110.062 176.878 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -126.35 140.92 52.12 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.439 -0.801 . . . . 0.0 108.963 174.392 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.3 -93.22 1.81 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.404 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 26.6 ptm -102.36 11.77 37.57 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.439 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.28 -60.53 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.629 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.7 t -114.37 135.26 54.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.529 -174.965 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.12 136.03 56.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.234 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -68.16 -14.95 63.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.209 -175.856 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -68.8 -29.28 67.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.0 0.428 . . . . 0.0 110.509 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.6 t -84.62 -24.71 29.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.501 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.4 mt -85.87 99.89 8.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.018 0.437 . . . . 0.0 110.123 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.5 m -121.55 129.19 25.31 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.018 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.535 ' HA ' ' HA ' ' A' ' 18' ' ' PHE . 16.4 Cg_endo -58.72 135.53 67.77 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.586 2.191 . . . . 0.0 110.858 173.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.431 HG22 ' HB3' ' A' ' 15' ' ' LEU . 7.1 t -60.1 -30.76 69.46 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -173.655 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.607 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 31.4 t -62.65 -36.53 83.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.156 0.503 . . . . 0.0 110.427 177.533 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -95.42 -1.04 51.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.394 0.616 . . . . 0.0 110.091 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -90.66 -31.68 16.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.658 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.507 HG23 ' HB3' ' A' ' 12' ' ' ALA . 9.0 m -84.37 -7.94 11.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.017 -177.491 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -107.13 125.01 50.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.561 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.8 m -125.21 108.84 12.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.701 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.497 ' HA ' ' HA ' ' A' ' 62' ' ' MET . 35.3 m -64.86 115.89 5.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.984 0.421 . . . . 0.0 110.704 178.445 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.2 m -107.46 2.63 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 9.2 ttp180 -152.08 -172.15 4.14 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.639 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -53.42 -55.31 26.13 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 111.553 -177.757 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -122.22 -22.34 5.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.047 0.451 . . . . 0.0 110.928 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.511 HG21 ' HB3' ' A' ' 102' ' ' GLN . 32.6 t -71.83 126.17 31.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.211 -177.029 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.497 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 68.9 mtm -111.83 146.81 37.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.745 -177.912 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.578 ' HD2' ' OE1' ' A' ' 98' ' ' GLU . 13.5 tpp180 -101.98 139.6 37.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.63 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -80.19 115.27 19.66 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 174.258 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.627 ' O ' ' HG3' ' A' ' 68' ' ' GLN . . . -68.43 111.19 3.82 Favored Glycine 0 C--O 1.22 -0.759 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.551 -177.804 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -22.68 60.71 Favored 'General case' 0 C--N 1.315 -0.919 0 O-C-N 122.297 -0.531 . . . . 0.0 110.626 171.022 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.37 -24.85 63.03 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.741 -174.766 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.627 ' HG3' ' O ' ' A' ' 65' ' ' GLY . 2.8 pp0? -58.59 -30.42 67.18 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -177.851 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.449 HD13 ' HA ' ' A' ' 91' ' ' LEU . 57.8 mt -55.98 -42.05 75.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.314 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.455 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 11.2 mm100 -66.93 -34.36 77.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.596 -177.555 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 61.1 mt -77.18 -39.1 28.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.359 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.465 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 57.7 mt -70.18 -31.86 69.53 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -175.569 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.455 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.1 pp -60.12 -22.97 63.47 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -176.716 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.447 ' N ' HD13 ' A' ' 73' ' ' LEU . 43.4 mm-40 -50.88 -34.31 27.67 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.969 0.414 . . . . 0.0 110.813 176.286 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.91 ' HB2' HD13 ' A' ' 81' ' ' LEU . 67.0 mm-40 -110.62 131.56 54.95 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.794 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -98.83 -0.36 42.65 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.916 -172.836 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.564 HD13 ' HB3' ' A' ' 80' ' ' ARG . 1.0 OUTLIER -85.57 85.89 2.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.449 0.642 . . . . 0.0 111.57 177.949 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -63.17 -37.14 86.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.371 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -63.97 -39.2 93.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.284 0.564 . . . . 0.0 110.654 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.564 ' HB3' HD13 ' A' ' 77' ' ' ILE . 56.3 ttt180 -75.95 -40.96 52.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.408 -177.315 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.91 HD13 ' HB2' ' A' ' 75' ' ' GLN . 90.3 mt -75.59 -12.13 60.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.253 177.871 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 71.63 25.26 3.34 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.981 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.445 HD12 HD12 ' A' ' 72' ' ' LEU . 1.6 mp -61.33 120.12 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.053 0.454 . . . . 0.0 110.034 176.33 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.507 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -75.58 170.53 54.53 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.663 -0.699 . . . . 0.0 113.019 -176.651 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.427 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 5.4 mm-40 -55.13 -53.87 56.75 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -177.453 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.738 ' HB2' HG13 ' A' ' 8' ' ' ILE . 42.9 Cg_endo -67.95 -10.94 30.46 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.104 1.87 . . . . 0.0 112.494 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.507 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.3 mm? -77.63 -28.94 51.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.096 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 mp -68.45 -43.76 76.33 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.801 0.334 . . . . 0.0 110.525 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 35.5 m -73.73 -34.8 41.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.281 -177.498 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.56 ' HB2' HD12 ' A' ' 8' ' ' ILE . 50.3 t80 -60.97 -35.64 77.31 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.114 0.483 . . . . 0.0 110.355 177.955 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.449 ' HA ' HD13 ' A' ' 69' ' ' LEU . 10.5 tt -62.3 -37.17 84.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -74.46 -51.66 14.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.308 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -160.52 164.19 32.26 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.155 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -117.96 129.42 55.59 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.143 0.497 . . . . 0.0 111.073 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.25 -46.34 87.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.171 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 50.2 tp -107.65 108.16 61.22 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.147 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -63.91 -13.57 38.07 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 123.221 2.614 . . . . 0.0 112.889 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.578 ' OE1' ' HD2' ' A' ' 63' ' ' ARG . 8.0 tp10 -139.12 88.97 2.31 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.275 -178.826 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 60.0 mt -92.29 107.57 19.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.466 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.424 HG22 HG12 ' A' ' 61' ' ' VAL . 2.7 m -133.6 120.57 20.89 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.295 176.984 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.06 156.85 43.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.84 0.353 . . . . 0.0 111.448 -173.796 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.511 ' HB3' HG21 ' A' ' 61' ' ' VAL . 30.2 pt20 -124.55 150.48 45.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.884 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -77.76 153.27 33.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.841 0.353 . . . . 0.0 110.157 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.427 ' HG2' ' O ' ' A' ' 104' ' ' GLN . 0.1 OUTLIER -90.64 97.29 11.1 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.676 0.751 . . . . 0.0 110.416 -179.588 . . . . . . . . 3 3 . 1 . 009 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 49.2 tp -85.97 -23.51 26.87 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 175.097 . . . . . . . . 1 1 . 1 . 009 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 . . . . . 0 C--O 1.247 0.925 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.099 177.279 . . . . . . . . 0 0 . 1 . 010 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.426 ' O ' ' HG3' ' A' ' 1' ' ' MET . 14.8 tpt . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 121.2 0.524 . . . . 0.0 110.447 . . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 m -119.53 128.76 54.24 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.119 -0.363 . . . . 0.0 110.741 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.76 HG13 ' HB2' ' A' ' 95' ' ' ASP . 48.6 mm -75.51 144.14 12.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 173.632 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.425 ' HG1' ' HB ' ' A' ' 8' ' ' ILE . 30.0 p -91.11 172.62 8.43 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.994 0.426 . . . . 0.0 112.039 -171.08 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.407 ' HB2' ' OD1' ' A' ' 7' ' ' ASP . 16.5 m -75.59 -169.9 1.14 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.208 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.56 -22.95 2.21 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.584 0.754 . . . . 0.0 112.243 -178.024 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . 0.407 ' OD1' ' HB2' ' A' ' 5' ' ' SER . 3.2 m-20 -55.2 -21.58 14.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.274 179.001 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.593 HD12 ' HB2' ' A' ' 90' ' ' TYR . 15.7 tt -57.07 -38.62 61.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-O 120.977 0.418 . . . . 0.0 110.536 177.443 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.465 ' SG ' HG22 ' A' ' 99' ' ' ILE . 58.1 m -75.54 -30.61 59.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.026 0.441 . . . . 0.0 110.808 178.134 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -68.85 -37.65 79.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.217 -178.136 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.97 -22.0 63.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.874 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.463 ' HB2' HG21 ' A' ' 53' ' ' VAL . . . -74.43 -24.49 59.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.209 0.528 . . . . 0.0 110.289 177.437 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -77.45 -21.3 53.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.958 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.54 -5.0 59.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.587 -177.667 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.458 HD23 ' HA ' ' A' ' 83' ' ' ILE . 60.9 mt -65.39 129.84 41.18 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -114.83 140.36 49.0 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.985 0.421 . . . . 0.0 110.827 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 135.22 147.13 5.45 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 -177.372 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -111.07 124.51 52.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.935 0.398 . . . . 0.0 110.152 -177.445 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.406 HG22 HG12 ' A' ' 30' ' ' VAL . 18.8 t -95.62 131.76 41.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.266 -176.75 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.35 163.95 29.28 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.26 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -97.13 109.54 22.27 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.419 ' HB2' HG12 ' A' ' 29' ' ' ILE . 52.2 t30 -90.28 122.66 33.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.085 0.469 . . . . 0.0 110.917 -176.886 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -62.42 -20.99 65.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.352 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -66.12 -53.7 34.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.53 0.205 . . . . 0.0 111.047 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.1 t -93.24 -19.64 21.22 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.399 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.65 33.74 63.39 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.627 -177.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -139.96 176.6 8.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.735 0.303 . . . . 0.0 110.294 -177.61 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -82.16 129.3 34.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.187 175.045 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.419 HG12 ' HB2' ' A' ' 22' ' ' ASN . 2.7 pp -133.72 171.4 18.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.147 176.946 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.448 HG22 HD12 ' A' ' 77' ' ' ILE . 27.3 m -123.35 140.51 46.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.211 0.529 . . . . 0.0 110.857 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 15.5 tpp180 -132.05 154.43 49.42 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 176.649 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -102.99 4.42 37.37 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.369 0.604 . . . . 0.0 109.741 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.489 ' HB2' ' OG ' ' A' ' 36' ' ' SER . 4.4 m -125.87 116.57 21.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.109 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -69.25 -32.11 71.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.689 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -72.71 -10.44 59.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.323 -174.739 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.489 ' OG ' ' HB2' ' A' ' 33' ' ' SER . 16.6 m -74.73 -7.02 52.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.056 0.455 . . . . 0.0 111.025 -178.513 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.407 ' HB2' HD11 ' A' ' 46' ' ' ILE . 70.9 m-85 -123.01 106.28 10.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.814 176.861 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.5 -76.12 1.2 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.168 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -104.75 2.64 30.47 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 172.748 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.47 -52.06 50.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.829 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.5 t -133.12 145.56 33.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 114.745 -1.116 . . . . 0.0 108.716 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -66.6 137.17 56.55 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.761 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -63.15 -26.13 68.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.983 0.42 . . . . 0.0 110.673 -177.925 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -70.88 -29.73 65.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.314 175.962 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.8 m -86.0 -18.0 33.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.096 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.407 HD11 ' HB2' ' A' ' 37' ' ' PHE . 59.5 mt -75.78 97.39 1.38 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 174.566 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.6 m -114.03 124.85 30.23 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 -175.76 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -58.49 141.25 97.11 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.548 2.166 . . . . 0.0 110.795 172.28 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.43 ' HA ' ' HB3' ' A' ' 52' ' ' PHE . 6.2 t -64.13 -13.87 51.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.584 0.23 . . . . 0.0 111.577 -177.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.94 -30.28 69.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.107 0.479 . . . . 0.0 110.458 175.678 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -104.75 -27.22 11.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.114 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.43 ' HB3' ' HA ' ' A' ' 49' ' ' THR . 63.2 t80 -57.91 -35.45 71.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.557 -176.319 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.54 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 27.6 m -75.51 -8.79 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -177.581 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.445 ' CH2' ' HB3' ' A' ' 9' ' ' CYS . 97.6 m95 -102.68 124.85 48.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.136 0.493 . . . . 0.0 111.005 -178.891 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.4 t -110.01 111.72 23.28 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.5 t -67.24 115.45 6.92 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.0 m -107.46 -27.1 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -175.589 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -161.25 108.49 1.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.884 0.374 . . . . 0.0 111.953 -178.467 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 55.93 -92.8 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.703 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -111.6 -11.84 13.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.437 0.636 . . . . 0.0 110.021 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.532 ' HA ' ' HB3' ' A' ' 102' ' ' GLN . 30.2 t -71.91 109.51 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.359 -177.813 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 70.1 mtm -99.95 132.15 45.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.317 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -95.56 120.54 35.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.142 177.745 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -70.1 111.77 5.99 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 174.361 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.86 107.61 3.56 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.089 -176.893 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.561 ' HB3' ' CE2' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -68.96 -17.65 63.97 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 122.611 -0.347 . . . . 0.0 111.027 176.337 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.531 ' OE1' ' HD3' ' A' ' 66' ' ' ARG . 1.7 mp0 -56.74 -30.58 63.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.608 0.718 . . . . 0.0 109.986 175.633 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.54 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 12.9 mm-40 -66.5 -31.51 72.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.321 -176.385 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.557 HD13 ' HA ' ' A' ' 66' ' ' ARG . 10.0 mp -63.39 -28.51 70.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -178.923 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -67.52 -30.84 70.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.727 0.299 . . . . 0.0 110.612 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.513 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 61.8 mt -74.55 -34.89 36.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.408 0.623 . . . . 0.0 110.161 178.267 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.0 mt -74.13 -29.77 61.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.356 0.598 . . . . 0.0 109.908 175.912 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.7 tp -66.88 -38.69 86.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.622 -178.19 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.513 ' HG2' ' O ' ' A' ' 71' ' ' ILE . 13.5 pt-20 -69.49 -29.25 66.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.945 0.402 . . . . 0.0 110.051 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.409 ' NE2' ' HA ' ' A' ' 29' ' ' ILE . 4.5 tp-100 -69.4 -45.55 68.96 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 175.173 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 65.17 30.97 11.19 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 114.671 -1.149 . . . . 0.0 112.319 169.773 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.448 HD12 HG22 ' A' ' 30' ' ' VAL . 1.8 pp -117.07 55.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.48 0.657 . . . . 0.0 110.826 175.279 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.493 ' HA ' HD12 ' A' ' 83' ' ' ILE . 46.3 t-20 -55.12 -36.2 65.46 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.75 -177.753 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -59.95 -33.5 72.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.394 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -79.45 -54.46 5.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.848 0.356 . . . . 0.0 111.197 -176.366 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.54 -26.51 64.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.988 -177.168 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.6 t30 62.84 83.87 0.15 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.138 -174.904 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 78' ' ' ASN . 1.9 mp -80.91 128.2 38.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 176.616 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.571 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -55.2 145.47 30.64 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.69 -0.686 . . . . 0.0 113.039 -176.46 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.543 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 2.5 mp0 -55.69 -48.15 97.13 Favored Pre-proline 0 C--N 1.321 -0.66 0 C-N-CA 122.67 0.388 . . . . 0.0 111.643 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.543 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 38.2 Cg_exo -59.73 -26.31 81.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 C-N-CA 122.014 1.809 . . . . 0.0 112.245 175.764 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.571 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.4 mm? -68.89 -35.04 76.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.865 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.661 ' O ' ' HD3' ' A' ' 92' ' ' ARG . 10.4 mp -63.99 -43.46 95.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.714 174.3 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.441 HG13 HD11 ' A' ' 3' ' ' ILE . 16.7 t -63.44 -34.93 70.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.27 0.557 . . . . 0.0 109.97 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.593 ' HB2' HD12 ' A' ' 8' ' ' ILE . 7.0 t80 -64.75 -33.88 77.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.353 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.7 tt -72.2 -32.39 66.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.032 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.661 ' HD3' ' O ' ' A' ' 88' ' ' LEU . 4.2 mpt_? -60.09 -59.71 4.99 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.933 176.79 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.577 ' HG3' HD13 ' A' ' 3' ' ' ILE . 6.6 ptp180 -149.25 131.99 15.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.017 0.437 . . . . 0.0 110.629 173.499 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.447 ' O ' ' HG3' ' A' ' 94' ' ' GLN . 11.4 pt20 -83.14 100.51 10.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.602 0.715 . . . . 0.0 109.992 176.509 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.76 ' HB2' HG13 ' A' ' 3' ' ' ILE . 16.4 t70 -68.25 -41.68 80.78 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 175.985 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.1 mp -117.64 102.63 51.56 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.217 173.231 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -57.2 -43.34 53.77 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.889 2.393 . . . . 0.0 112.265 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -116.48 92.16 3.8 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.531 178.306 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.465 HG22 ' SG ' ' A' ' 9' ' ' CYS . 51.4 mt -83.22 104.8 12.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 175.314 . . . . . . . . 2 2 . 1 . 010 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.4 p -101.42 123.44 45.49 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.736 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.94 136.83 47.64 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.742 -177.632 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.532 ' HB3' ' HA ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -138.02 150.45 46.97 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.119 177.148 . . . . . . . . 3 3 . 1 . 010 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.0 ttm-85 -90.06 -37.99 13.88 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -144.74 163.71 33.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.056 176.732 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 31.1 tp -117.57 -19.97 9.19 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.346 0.593 . . . . 0.0 109.69 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 . . . . . 0 C--O 1.252 1.189 0 CA-C-O 118.474 -0.774 . . . . 0.0 109.542 177.253 . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.755 0.312 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 011 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 m -84.84 161.16 20.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.407 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.601 HG13 ' HB3' ' A' ' 95' ' ' ASP . 38.2 mm -67.77 141.65 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.151 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.547 ' HG1' ' HB ' ' A' ' 8' ' ' ILE . 30.2 p -91.05 -175.19 4.24 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.383 -172.716 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.482 ' O ' HG22 ' A' ' 8' ' ' ILE . 13.2 m -78.59 -170.2 2.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.011 -178.277 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.1 m -50.45 -23.75 2.65 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.642 0.777 . . . . 0.0 112.689 -175.502 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -52.83 -29.89 30.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.4 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.547 ' HB ' ' HG1' ' A' ' 4' ' ' THR . 16.5 tt -63.83 -34.78 70.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-O 120.967 0.413 . . . . 0.0 110.811 -179.117 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.533 ' HG ' HG23 ' A' ' 99' ' ' ILE . 12.3 m -74.51 -39.99 62.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.514 -179.249 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -74.19 -36.75 64.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.146 -177.106 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.79 -32.51 71.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.11 -25.67 67.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.896 0.379 . . . . 0.0 111.625 -178.953 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -86.61 -17.61 33.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.289 0.566 . . . . 0.0 110.028 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.91 2.25 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.197 -175.337 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 11.0 mp -66.29 169.37 7.33 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.779 0.323 . . . . 0.0 110.965 177.562 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.431 ' HG2' ' HB2' ' A' ' 82' ' ' ASN . 17.7 ptpt -141.24 157.08 45.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.798 0.333 . . . . 0.0 110.692 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.52 154.43 17.04 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.35 178.273 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -118.75 122.87 43.46 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.498 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 12.1 p -114.04 134.43 56.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.594 -173.909 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.76 175.92 29.54 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.347 -176.388 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -100.64 123.62 45.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.841 0.353 . . . . 0.0 110.9 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.501 ' HB3' HG22 ' A' ' 25' ' ' THR . 24.5 t-20 -94.94 114.58 26.43 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.238 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.434 ' HG2' ' HB3' ' A' ' 40' ' ' ASP . 13.4 ptm180 -71.38 -20.86 62.09 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -172.965 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.619 ' HB2' ' HZ3' ' A' ' 24' ' ' LYS . 3.5 ttmp? -76.35 -49.65 16.29 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 122.131 -0.356 . . . . 0.0 110.883 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.501 HG22 ' HB3' ' A' ' 22' ' ' ASN . 12.1 t -81.82 -24.41 35.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.942 0.401 . . . . 0.0 110.72 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.47 40.58 27.43 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.863 175.121 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.448 ' HG2' HG21 ' A' ' 25' ' ' THR . 32.1 ptt180 -154.25 168.02 27.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.867 0.365 . . . . 0.0 110.97 177.987 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.461 ' CE2' HG23 ' A' ' 19' ' ' VAL . 2.2 t80 -96.71 119.99 36.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.784 -174.558 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 pp -130.19 159.55 42.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.712 0.291 . . . . 0.0 111.761 -174.031 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.498 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 8.3 p -116.3 145.21 22.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.84 -178.542 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.47 148.02 45.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.334 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -73.28 -41.35 63.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.422 -176.6 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.2 m -101.19 134.13 44.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.17 -176.47 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -66.33 -45.35 80.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.104 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -61.78 -17.23 55.25 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.915 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.6 m -83.73 25.79 0.75 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.895 0.379 . . . . 0.0 111.469 -175.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -90.34 149.32 22.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.961 0.41 . . . . 0.0 110.117 177.78 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.96 176.6 24.86 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.231 176.174 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 26.3 mmt -69.92 -0.73 7.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.201 0.524 . . . . 0.0 111.019 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.475 ' OD1' ' HB2' ' A' ' 24' ' ' LYS . 14.9 m-20 -82.21 -11.37 58.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.291 175.366 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.2 t -129.44 123.91 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.681 -179.107 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.13 142.57 47.48 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -64.07 -27.37 69.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.61 0.243 . . . . 0.0 111.167 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -71.63 -29.63 64.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.934 0.397 . . . . 0.0 110.371 174.732 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.0 m -82.03 -6.51 59.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.294 -177.404 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.1 mt -69.99 101.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.8 m -101.03 117.18 62.91 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.134 -175.23 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -61.37 130.71 33.02 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.318 2.012 . . . . 0.0 110.299 171.455 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 9.0 t -60.53 -25.77 66.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.485 0.183 . . . . 0.0 111.456 -177.108 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.6 m -68.99 -17.33 63.91 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 120.88 0.371 . . . . 0.0 110.945 177.532 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -115.48 3.31 14.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.176 0.512 . . . . 0.0 110.105 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -93.04 -44.21 8.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.607 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.543 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 34.4 m -68.86 -21.98 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.987 -178.688 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -87.46 115.55 24.96 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 173.819 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.5 t -98.9 111.56 23.92 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.97 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.3 m -74.51 114.1 12.52 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.886 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.1 m -110.84 -4.87 11.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.449 0.642 . . . . 0.0 109.725 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.452 ' HB3' ' HB ' ' A' ' 61' ' ' VAL . 33.9 ttt180 -151.63 166.3 31.65 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -61.43 -51.96 66.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.821 0.343 . . . . 0.0 111.351 -176.493 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -97.82 -32.56 11.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.452 ' HB ' ' HB3' ' A' ' 58' ' ' ARG . 46.0 t -91.52 115.19 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.153 0.501 . . . . 0.0 111.827 -174.279 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.426 ' O ' ' HA ' ' A' ' 100' ' ' THR . 62.4 mtm -108.06 157.94 17.83 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.765 175.298 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -130.24 144.2 51.23 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 176.971 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.526 HD13 ' CE2' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -73.93 118.94 17.47 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 175.353 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -99.88 112.27 4.4 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.114 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.496 ' HA ' HD12 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -70.73 -18.89 62.78 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 122.415 -0.462 . . . . 0.0 111.719 178.407 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -63.17 -23.68 67.54 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.123 0.487 . . . . 0.0 110.814 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.543 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 8.3 mm-40 -67.14 -34.95 78.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.127 -178.881 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.496 HD12 ' HA ' ' A' ' 66' ' ' ARG . 8.3 mp -68.3 -27.66 66.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.201 -0.908 . . . . 0.0 111.152 -176.96 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -61.53 -33.79 74.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.658 0.266 . . . . 0.0 111.1 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . 0.42 ' O ' ' HG3' ' A' ' 74' ' ' GLU . 64.1 mt -69.22 -39.92 79.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.247 0.546 . . . . 0.0 110.09 178.715 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.5 mt -73.1 -25.18 60.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.593 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.7 tp -68.81 -27.13 65.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.191 -174.347 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . 0.484 ' OE2' ' HB2' ' A' ' 75' ' ' GLN . 0.8 OUTLIER -82.49 -22.12 35.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.174 0.511 . . . . 0.0 110.6 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.484 ' HB2' ' OE2' ' A' ' 74' ' ' GLU . 6.0 tp-100 -108.81 89.11 2.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.678 176.925 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -73.63 84.9 1.59 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.194 0.521 . . . . 0.0 111.328 -176.256 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 pp -135.57 56.49 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.568 174.431 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.424 ' HA ' HD13 ' A' ' 83' ' ' ILE . 15.4 m120 -56.62 -35.37 68.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.806 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -27.56 66.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.109 177.906 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.451 ' HD2' ' HA ' ' A' ' 80' ' ' ARG . 16.6 tpt180 -84.98 -52.4 6.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.837 0.351 . . . . 0.0 111.167 -176.236 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.467 HD22 ' O ' ' A' ' 81' ' ' LEU . 8.1 tt -85.41 -25.38 27.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -174.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.431 ' HB2' ' HG2' ' A' ' 16' ' ' LYS . 0.9 OUTLIER 65.26 72.08 0.43 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.165 0.507 . . . . 0.0 110.778 -175.961 . . . . . . . . 3 3 . 1 . 011 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.424 HD13 ' HA ' ' A' ' 78' ' ' ASN . 3.2 mp -77.44 124.27 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 175.956 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.578 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -54.92 141.36 36.83 Favored Glycine 0 N--CA 1.451 -0.339 0 O-C-N 123.577 0.548 . . . . 0.0 112.783 -178.223 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.546 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 2.0 mp0 -58.39 -49.12 95.29 Favored Pre-proline 0 C--N 1.321 -0.643 0 C-N-CA 122.635 0.374 . . . . 0.0 111.91 -177.06 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.546 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 28.5 Cg_exo -63.74 -16.08 52.66 Favored 'Trans proline' 0 C--N 1.358 1.064 0 C-N-CA 121.999 1.799 . . . . 0.0 112.32 177.41 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.1 mm? -72.29 -32.26 66.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.235 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.479 ' O ' ' HG3' ' A' ' 92' ' ' ARG . 3.5 mm? -63.39 -31.34 72.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.275 0.559 . . . . 0.0 109.589 174.33 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.499 HG12 HD11 ' A' ' 3' ' ' ILE . 54.0 t -68.65 -42.55 83.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.4 177.289 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.529 ' HB2' HD11 ' A' ' 8' ' ' ILE . 12.9 t80 -65.62 -30.49 71.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.83 178.573 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 60.8 tp -69.45 -35.71 75.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.527 177.007 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.479 ' HG3' ' O ' ' A' ' 88' ' ' LEU . 54.5 mtt180 -58.55 -58.65 7.62 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 121.147 0.498 . . . . 0.0 110.525 178.796 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.431 ' O ' HD13 ' A' ' 3' ' ' ILE . 4.3 ptp180 -144.99 132.06 20.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.286 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -87.06 61.9 7.05 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.443 0.64 . . . . 0.0 109.45 172.745 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.601 ' HB3' HG13 ' A' ' 3' ' ' ILE . 19.1 t70 -53.15 -44.76 68.06 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.525 178.343 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 80.6 mt -96.04 101.2 7.88 Favored Pre-proline 0 N--CA 1.446 -0.641 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 166.033 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -69.04 -18.35 40.45 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.644 2.229 . . . . 0.0 112.666 -171.323 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -150.44 92.76 1.89 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.072 0.463 . . . . 0.0 111.356 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.533 HG23 ' HG ' ' A' ' 9' ' ' CYS . 63.5 mt -75.06 104.73 3.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 168.856 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 62' ' ' MET . 5.6 p -99.02 137.75 37.1 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.233 0.54 . . . . 0.0 111.49 -174.957 . . . . . . . . 2 2 . 1 . 011 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.22 120.68 36.83 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.441 178.385 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 10.8 pt20 -142.47 150.59 40.74 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.691 -178.351 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 9.2 mmm180 -78.02 69.14 4.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.352 0.596 . . . . 0.0 110.021 -178.832 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -82.26 126.91 32.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.474 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 22.0 tp -111.08 14.36 21.9 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.614 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 . . . . . 0 C--O 1.25 1.086 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.582 176.789 . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.06 0.457 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 012 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 m -125.04 168.48 13.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.799 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.565 HG13 ' H ' ' A' ' 95' ' ' ASP . 45.5 mm -86.09 137.58 20.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 174.895 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.3 p -91.72 -175.56 4.2 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.213 0.53 . . . . 0.0 111.985 -172.001 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 m -69.75 -168.42 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.255 -177.338 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.5 m -49.44 -22.79 1.27 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.704 0.802 . . . . 0.0 112.541 -176.242 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -52.62 -24.97 9.41 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 122.674 0.39 . . . . 0.0 111.969 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.695 HG13 ' HB2' ' A' ' 86' ' ' PRO . 19.6 tt -62.54 -34.83 67.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 120.911 0.386 . . . . 0.0 110.765 178.086 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.5 t -74.89 -35.23 62.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.217 0.532 . . . . 0.0 110.237 177.045 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -72.99 -34.0 66.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.108 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . 0.506 ' HB3' ' HA3' ' A' ' 84' ' ' GLY . . . -62.72 -32.12 73.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.49 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.461 ' HA ' HD13 ' A' ' 15' ' ' LEU . . . -67.69 -19.66 65.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.365 0.603 . . . . 0.0 110.754 178.294 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -85.62 -11.98 52.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.028 178.904 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.87 -1.83 57.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.661 -177.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.504 ' HB3' HG22 ' A' ' 49' ' ' THR . 11.0 mp -71.32 128.76 36.96 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 175.668 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -129.28 143.35 50.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.078 0.466 . . . . 0.0 111.075 -174.895 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.58 166.06 13.21 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.89 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -111.88 132.62 54.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.817 0.341 . . . . 0.0 110.434 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.492 HG21 ' HB ' ' A' ' 49' ' ' THR . 47.8 t -101.79 130.86 50.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.726 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.29 162.54 27.22 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.23 -0.986 . . . . 0.0 112.575 -178.095 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -109.45 114.56 28.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.882 0.372 . . . . 0.0 110.062 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -89.21 101.17 13.83 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.284 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -69.39 -20.95 63.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.791 -174.075 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -53.32 -45.79 69.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.979 0.418 . . . . 0.0 110.79 176.422 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.7 t -105.07 -13.3 15.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.579 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.89 49.88 26.53 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.762 177.403 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -151.1 162.88 40.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.74 -0.271 . . . . 0.0 110.413 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -86.8 138.53 31.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.968 177.973 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.4 pp -132.56 160.33 42.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.691 178.421 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.2 m -118.29 128.7 75.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.161 177.097 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.602 ' HG3' ' HE2' ' A' ' 37' ' ' PHE . 11.1 mmt180 -135.49 164.65 27.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.753 -177.366 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.55 ' HZ ' ' HG3' ' A' ' 80' ' ' ARG . 85.3 m-85 -111.87 -21.95 11.35 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.382 0.61 . . . . 0.0 109.72 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.415 ' HB3' ' HB2' ' A' ' 36' ' ' SER . 36.5 t -106.97 112.92 26.11 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.672 174.748 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.47 -19.08 63.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.674 0.749 . . . . 0.0 109.496 175.464 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -77.07 -13.78 59.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.733 -1.122 . . . . 0.0 110.758 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.415 ' HB2' ' HB3' ' A' ' 33' ' ' SER . 4.4 t -63.66 -33.31 75.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.171 -174.771 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.602 ' HE2' ' HG3' ' A' ' 31' ' ' ARG . 69.6 m-85 -105.75 162.89 13.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.506 178.624 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.32 -130.08 3.03 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.302 -0.951 . . . . 0.0 113.141 -177.106 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -59.79 -21.25 60.56 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -170.896 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -73.54 -31.09 63.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.03 0.443 . . . . 0.0 110.794 -179.318 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.85 127.24 69.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.797 -176.648 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.09 120.5 12.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.293 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -67.48 -18.34 65.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.5 -174.644 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -74.42 -21.67 59.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.319 . . . . 0.0 110.894 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.4 m -81.34 -19.65 42.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.572 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 59.9 mt -73.03 98.14 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.629 178.218 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.7 m -115.94 134.53 22.72 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.234 -172.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -51.95 126.08 19.04 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.846 2.364 . . . . 0.0 111.178 173.161 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.504 HG22 ' HB3' ' A' ' 15' ' ' LEU . 9.6 t -61.89 -25.78 67.76 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -173.191 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.41 ' O ' HG23 ' A' ' 53' ' ' VAL . 31.4 t -64.85 -43.37 93.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.554 0.216 . . . . 0.0 110.836 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.605 ' HA ' ' HD1' ' A' ' 54' ' ' TRP . 34.2 tt0 -87.28 -14.53 40.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.317 0.58 . . . . 0.0 110.258 -178.125 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -67.21 -25.39 66.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.845 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.57 ' HA ' ' HG2' ' A' ' 68' ' ' GLN . 10.7 m -87.29 -3.61 9.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.468 -176.338 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.605 ' HD1' ' HA ' ' A' ' 51' ' ' GLU . 98.1 m95 -99.45 118.38 35.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.009 0.433 . . . . 0.0 110.72 -179.09 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.2 m -90.9 112.89 24.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.195 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.447 ' HA ' ' HG2' ' A' ' 62' ' ' MET . 20.3 m -65.47 124.48 22.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.526 179.325 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.5 m -115.14 7.55 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -177.189 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.427 ' HG2' ' OD1' ' A' ' 59' ' ' ASP . 29.6 ttm180 -166.39 -77.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.66 178.994 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.427 ' OD1' ' HG2' ' A' ' 58' ' ' ARG . 6.3 m-20 -135.97 -87.11 0.34 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.578 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -95.59 -23.06 17.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.061 175.664 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.416 HG13 ' HB3' ' A' ' 58' ' ' ARG . 7.5 p -69.78 120.33 17.3 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 CA-C-O 121.732 0.777 . . . . 0.0 110.454 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.447 ' HG2' ' HA ' ' A' ' 56' ' ' SER . 57.3 mtt -126.73 149.44 49.59 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.482 -178.614 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.503 ' HB2' ' HB2' ' A' ' 98' ' ' GLU . 31.3 ptt180 -111.35 146.63 36.76 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.684 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . 0.518 ' HB2' ' HB ' ' A' ' 99' ' ' ILE . 0.8 OUTLIER -63.09 110.5 1.85 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 177.666 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.686 ' O ' ' HG3' ' A' ' 68' ' ' GLN . . . -87.29 120.07 5.42 Favored Glycine 0 N--CA 1.439 -1.11 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.26 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.3 ptm85 -70.76 -13.05 61.91 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 117.412 0.606 . . . . 0.0 110.985 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -65.25 -27.27 68.53 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -178.372 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.686 ' HG3' ' O ' ' A' ' 65' ' ' GLY . 3.3 pp0? -65.34 -30.16 70.97 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 111.086 174.915 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.616 ' HG ' ' NE2' ' A' ' 68' ' ' GLN . 81.6 mt -60.97 -30.92 70.54 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.795 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.843 HE21 ' HA ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -69.3 -34.04 74.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.878 0.37 . . . . 0.0 110.339 178.641 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.8 mt -73.63 -48.22 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.222 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.67 -27.6 69.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.939 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.5 tp -56.93 -28.7 62.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.049 -178.627 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -82.06 -13.46 57.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.9 0.381 . . . . 0.0 111.091 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -122.25 90.85 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.84 0.352 . . . . 0.0 110.091 -179.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . 0.41 ' N ' HD21 ' A' ' 76' ' ' ASN . 0.9 OUTLIER -79.75 35.13 0.29 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.191 0.519 . . . . 0.0 111.653 -174.813 . . . . . . . . 3 3 . 1 . 012 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.7 pp -93.81 53.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.267 -179.037 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.505 ' HA ' HD12 ' A' ' 83' ' ' ILE . 2.5 m-20 -58.72 -31.52 68.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.338 -178.602 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -68.25 -29.17 67.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.349 0.595 . . . . 0.0 110.912 177.62 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.55 ' HG3' ' HZ ' ' A' ' 32' ' ' PHE . 3.9 tpt180 -81.35 -51.63 8.14 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.479 -175.73 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.4 tp -89.55 -22.21 22.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.311 -173.177 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.3 t30 64.13 85.49 0.14 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.063 -177.379 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.505 HD12 ' HA ' ' A' ' 78' ' ' ASN . 2.4 mp -88.87 132.0 34.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.321 176.669 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.517 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -56.9 146.48 35.4 Favored Glycine 0 N--CA 1.452 -0.268 0 O-C-N 123.624 0.577 . . . . 0.0 113.195 -176.88 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.579 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 17.2 tp10 -54.24 -56.03 30.67 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.084 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.695 ' HB2' HG13 ' A' ' 8' ' ' ILE . 11.2 Cg_exo -72.24 -1.53 10.26 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 121.947 1.765 . . . . 0.0 112.993 -177.632 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.517 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.9 mm? -73.71 -28.91 61.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 176.848 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.3 mp -66.18 -45.9 79.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.731 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.8 m -71.75 -34.29 51.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.996 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.511 ' HB2' HD11 ' A' ' 8' ' ' ILE . 36.8 t80 -59.55 -35.81 74.96 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.354 0.597 . . . . 0.0 109.935 175.413 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.51 HD11 HD22 ' A' ' 69' ' ' LEU . 7.1 tt -67.75 -50.52 56.83 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.931 176.987 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.0 mmt85 -54.94 -53.51 54.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.955 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.416 ' O ' HD12 ' A' ' 3' ' ' ILE . 13.0 ttm180 -166.86 115.06 0.84 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.047 0.451 . . . . 0.0 109.935 174.763 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -78.91 120.31 23.33 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.737 -177.864 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.565 ' H ' HG13 ' A' ' 3' ' ' ILE . 26.8 t70 -75.15 -27.73 59.85 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 175.853 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 94.5 mt -99.38 123.57 47.93 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.078 171.992 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.01 -30.36 93.16 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.705 2.27 . . . . 0.0 111.936 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.503 ' HB2' ' HB2' ' A' ' 63' ' ' ARG . 9.2 pt-20 -166.57 122.75 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.173 176.361 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.518 ' HB ' ' HB2' ' A' ' 64' ' ' LEU . 67.3 mt -78.61 113.83 18.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.706 . . . . . . . . 2 2 . 1 . 012 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.8 p -95.03 127.79 41.36 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.167 0.508 . . . . 0.0 111.42 -176.035 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.98 127.57 38.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.484 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -147.62 138.95 23.7 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.638 176.344 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 12.1 ptm180 -95.95 -177.07 3.89 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.102 0.477 . . . . 0.0 110.031 178.873 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.7 pt20 -137.92 174.7 10.29 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 174.632 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.8 tp -96.64 22.25 8.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.833 0.825 . . . . 0.0 109.518 178.66 . . . . . . . . 1 1 . 1 . 012 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 91.9 mtt180 . . . . . 0 C--O 1.247 0.926 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.237 -179.501 . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.8 ttp . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 120.652 0.263 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 013 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m -70.33 142.21 52.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.665 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.881 HG22 ' HB2' ' A' ' 95' ' ' ASP . 42.4 mm -70.75 141.84 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.057 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.591 ' HG1' ' HB ' ' A' ' 8' ' ' ILE . 38.5 p -98.24 174.39 6.53 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.357 0.599 . . . . 0.0 112.315 -174.02 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 m -80.74 -164.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.946 174.387 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.7 m -47.89 -20.05 0.28 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.601 0.761 . . . . 0.0 112.567 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -50.17 -30.54 11.59 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.705 0.402 . . . . 0.0 110.947 175.326 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.591 ' HB ' ' HG1' ' A' ' 4' ' ' THR . 16.8 tt -58.26 -34.75 50.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.097 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.5 t -74.19 -39.49 63.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.621 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -74.16 -36.73 64.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 -176.622 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.72 -19.09 65.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.488 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.6 -16.69 62.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.136 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -94.51 -9.03 36.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.436 0.636 . . . . 0.0 110.054 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.25 -8.22 59.71 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.804 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.443 HD21 ' HA ' ' A' ' 83' ' ' ILE . 14.3 mt -68.23 135.75 52.47 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 176.252 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.52 ' HE2' ' OD1' ' A' ' 82' ' ' ASN . 61.1 pttt -132.78 133.78 43.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.354 0.597 . . . . 0.0 111.389 -179.017 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.38 166.35 11.66 Favored Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.425 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 77.5 m-85 -113.12 137.39 51.51 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.799 0.333 . . . . 0.0 110.19 -178.729 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.9 t -105.41 124.45 60.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 174.973 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.433 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -142.33 164.04 27.01 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.297 -0.954 . . . . 0.0 112.74 -174.125 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -98.3 116.56 30.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.819 0.342 . . . . 0.0 110.367 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . 0.433 ' OD1' HG21 ' A' ' 25' ' ' THR . 26.6 t-20 -90.89 119.81 31.39 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 176.09 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.497 ' HD3' ' OD1' ' A' ' 40' ' ' ASP . 4.4 ptm180 -78.91 -16.0 57.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.341 -172.343 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.851 ' HE2' ' HA ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -72.8 -55.61 6.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.665 0.269 . . . . 0.0 110.399 -179.641 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.433 HG21 ' OD1' ' A' ' 22' ' ' ASN . 12.2 t -84.52 -15.42 45.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.001 0.429 . . . . 0.0 110.127 177.497 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.27 22.42 78.54 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.403 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 1.2 mmp_? -114.64 156.38 24.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.732 0.301 . . . . 0.0 110.406 -176.06 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -96.21 105.29 17.32 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 pp -122.76 178.49 3.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.182 0.515 . . . . 0.0 112.307 -167.254 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.414 HG12 HD21 ' A' ' 81' ' ' LEU . 34.6 m -107.53 148.92 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.856 -179.443 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -152.34 132.13 13.23 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -86.03 -30.23 22.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.188 0.518 . . . . 0.0 109.882 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 m -81.1 112.51 18.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.709 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -28.22 66.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.21 0.528 . . . . 0.0 109.784 177.071 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.95 -13.26 32.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.709 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.3 m -77.64 55.88 1.39 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.904 0.383 . . . . 0.0 111.326 -178.426 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 3.3 p90 -145.94 -178.2 6.0 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 176.919 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 167.9 -120.19 0.89 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.724 -0.75 . . . . 0.0 111.966 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.9 ptp -94.93 -25.0 16.73 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.775 0.321 . . . . 0.0 110.404 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.497 ' OD1' ' HD3' ' A' ' 23' ' ' ARG . 3.6 m-20 -89.32 -12.49 40.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.048 178.515 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 57.4 t -118.95 109.56 27.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.633 -179.475 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.5 135.06 49.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.805 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -67.67 -29.95 69.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.426 -175.933 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -69.07 -24.37 64.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.395 0.617 . . . . 0.0 110.068 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.433 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 24.8 m -90.42 11.38 21.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.728 -174.509 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.2 mt -110.04 106.66 21.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.392 174.637 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.1 m -119.05 117.31 33.61 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.712 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 45.6 Cg_exo -55.27 132.6 53.19 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.481 2.121 . . . . 0.0 111.056 175.423 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.9 t -62.49 -20.5 64.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.636 0.255 . . . . 0.0 111.428 -175.87 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.48 -23.97 67.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.162 0.506 . . . . 0.0 110.673 177.437 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -116.37 -18.69 10.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.502 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -59.56 -38.89 82.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.511 -177.26 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.9 m -74.48 -10.44 13.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.713 0.292 . . . . 0.0 111.544 -177.573 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 99.7 m95 -100.35 116.79 33.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.035 0.445 . . . . 0.0 110.963 -179.471 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.708 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . 18.7 m -86.86 117.51 25.65 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 174.973 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.8 p -79.95 114.94 19.24 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.172 0.511 . . . . 0.0 110.641 -178.055 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.4 m -106.58 -16.33 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.513 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 34.8 mmt180 -146.11 -75.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.55 178.575 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 33.0 t70 163.16 -53.81 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 114.081 -1.418 . . . . 0.0 107.854 -176.059 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.446 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 10.9 t70 -75.46 -37.63 60.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.513 -1.221 . . . . 0.0 108.792 175.1 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.7 t -98.92 125.72 52.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.42 178.858 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 67.4 mtt -131.84 144.81 51.17 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 176.14 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.708 ' HG3' ' HB2' ' A' ' 55' ' ' SER . 7.9 ptp180 -115.0 143.67 44.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.68 0.276 . . . . 0.0 110.973 179.228 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.8 116.45 24.9 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.98 121.68 6.63 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.918 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 13.9 mtm-85 -70.95 -36.88 72.77 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 122.459 -0.436 . . . . 0.0 111.083 -179.862 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -57.25 -23.83 50.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.142 -177.287 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -62.7 -42.79 99.82 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.801 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.3 mt -70.73 -28.75 64.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.237 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.5 ' HA ' ' CD2' ' A' ' 73' ' ' LEU . 53.7 mt-30 -68.93 -22.11 64.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.675 177.772 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 71.6 mt -75.44 -37.16 37.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.201 0.524 . . . . 0.0 110.043 172.925 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.7 mt -75.53 -30.9 59.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.879 -175.232 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.5 ' CD2' ' HA ' ' A' ' 70' ' ' GLN . 4.5 pp -64.36 -23.37 67.27 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 121.181 -0.208 . . . . 0.0 111.092 -179.222 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -56.62 -34.5 67.31 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.013 176.549 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.425 ' HB3' HG13 ' A' ' 77' ' ' ILE . 26.7 mp0 -87.77 -36.87 17.06 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.807 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 72.04 7.61 5.82 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.689 171.527 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.539 ' HB ' ' HB3' ' A' ' 80' ' ' ARG . 1.4 pp -85.44 72.0 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.676 0.75 . . . . 0.0 111.811 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.531 ' HA ' HD12 ' A' ' 83' ' ' ILE . 17.0 m120 -60.65 -38.92 86.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.62 -177.627 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -76.15 -28.67 57.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.696 0.284 . . . . 0.0 110.96 -177.663 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.539 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 61.2 ttt180 -69.32 -54.81 12.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.023 0.439 . . . . 0.0 110.582 -179.335 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.458 ' HB3' ' CD1' ' A' ' 83' ' ' ILE . 20.6 tp -86.83 -15.55 38.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.328 -175.798 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.52 ' OD1' ' HE2' ' A' ' 16' ' ' LYS . 0.9 OUTLIER 69.36 57.76 0.35 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.08 -179.405 . . . . . . . . 3 3 . 1 . 013 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.531 HD12 ' HA ' ' A' ' 78' ' ' ASN . 3.3 mp -73.7 125.78 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 176.419 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.641 ' HA3' HD22 ' A' ' 87' ' ' LEU . . . -64.81 150.2 51.44 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.823 -0.626 . . . . 0.0 113.308 -176.523 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.536 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 46.6 mt-10 -71.22 -45.35 14.05 Favored Pre-proline 0 C--N 1.322 -0.619 0 C-N-CA 122.316 0.246 . . . . 0.0 111.425 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.536 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 51.6 Cg_exo -57.59 -21.9 48.94 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 121.845 1.697 . . . . 0.0 111.726 171.655 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.641 HD22 ' HA3' ' A' ' 84' ' ' GLY . 3.6 mm? -78.45 -37.05 44.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.668 177.28 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.2 mt -66.35 -39.34 89.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.828 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 18.6 m -70.35 -32.78 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.458 178.913 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.549 ' HB2' HD13 ' A' ' 8' ' ' ILE . 13.2 t80 -64.28 -29.15 70.25 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.347 0.594 . . . . 0.0 109.98 176.389 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.1 tp -73.43 -31.3 63.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.08 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -68.0 -62.52 1.37 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 175.92 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 62.3 mtm180 -146.45 168.09 22.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.355 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -124.19 127.5 47.82 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.215 0.531 . . . . 0.0 110.63 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.881 ' HB2' HG22 ' A' ' 3' ' ' ILE . 19.5 t70 -74.32 -30.4 62.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.089 -179.082 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.408 HD11 HG12 ' A' ' 99' ' ' ILE . 95.9 mt -112.04 143.57 29.0 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.179 175.512 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -51.73 -43.47 50.93 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.654 2.236 . . . . 0.0 111.947 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -148.09 114.57 5.96 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 173.59 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.408 HG12 HD11 ' A' ' 96' ' ' LEU . 32.1 mt -72.62 104.03 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 119.464 -0.894 . . . . 0.0 109.532 175.124 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.507 HG22 ' HB3' ' A' ' 63' ' ' ARG . 1.6 m -122.66 120.74 34.6 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 176.712 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -118.43 126.05 51.24 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.143 0.497 . . . . 0.0 110.24 -173.675 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.577 ' HG3' ' O ' ' A' ' 104' ' ' GLN . 13.4 pt20 -122.78 150.41 42.84 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.977 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -69.25 -40.71 77.7 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.3 -175.605 . . . . . . . . 1 1 . 1 . 013 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.577 ' O ' ' HG3' ' A' ' 102' ' ' GLN . 26.3 pt20 -83.82 167.21 17.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.351 176.481 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.853 ' HG ' ' HG3' ' A' ' 106' ' ' ARG . 2.7 pt? -88.15 -26.27 22.53 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.244 -177.38 . . . . . . . . 2 2 . 1 . 013 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.853 ' HG3' ' HG ' ' A' ' 105' ' ' LEU . 63.9 mtt180 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.096 -0.955 . . . . 0.0 110.43 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptp . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.892 0.377 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 014 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -97.8 155.85 16.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.138 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.631 HG13 ' HB2' ' A' ' 95' ' ' ASP . 48.0 mm -69.56 134.32 30.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.928 0.394 . . . . 0.0 110.509 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.8 p -92.94 -175.2 3.81 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.394 -176.657 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.446 ' O ' HG22 ' A' ' 8' ' ' ILE . 9.2 t -78.97 -168.36 1.43 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.478 176.564 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.6 m -49.7 -22.36 1.35 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.541 0.736 . . . . 0.0 112.414 -176.312 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.33 -24.26 7.24 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 122.756 0.423 . . . . 0.0 111.38 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.588 HD12 ' HB2' ' A' ' 90' ' ' TYR . 15.1 tt -59.7 -50.89 78.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.54 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.519 ' HB2' ' CH2' ' A' ' 54' ' ' TRP . 26.6 p -75.39 -29.77 59.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.068 0.461 . . . . 0.0 110.008 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -62.64 -39.04 92.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.761 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.92 -30.42 70.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.192 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.574 ' HB1' HD13 ' A' ' 87' ' ' LEU . . . -71.62 -34.91 70.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.387 0.613 . . . . 0.0 110.266 177.6 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -76.72 -17.71 58.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.241 177.038 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.25 6.44 48.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.566 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.1 mt -67.01 160.15 27.12 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 177.246 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.811 ' HB3' ' HZ3' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -129.79 143.28 50.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.79 0.329 . . . . 0.0 110.96 -178.13 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.38 151.66 7.9 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.941 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -114.04 116.47 29.22 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.47 HG12 ' CD2' ' A' ' 28' ' ' TYR . 2.5 t -95.99 123.99 48.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -176.805 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -141.32 -179.49 18.58 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.24 -175.003 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.519 ' O ' HG22 ' A' ' 41' ' ' VAL . 85.0 t80 -95.97 135.78 37.27 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.767 0.318 . . . . 0.0 110.727 -177.743 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -108.87 117.25 33.71 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 175.213 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -69.49 -29.36 66.98 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -173.152 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -70.45 -49.81 44.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.609 0.242 . . . . 0.0 111.357 -177.946 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.9 p -80.71 -21.16 41.45 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.927 0.394 . . . . 0.0 110.901 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.55 27.4 67.58 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.149 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.435 ' HG3' HG21 ' A' ' 29' ' ' ILE . 16.5 ptm180 -136.2 166.37 23.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.987 0.422 . . . . 0.0 111.076 -176.142 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.47 ' CD2' HG12 ' A' ' 19' ' ' VAL . 6.0 t80 -96.47 115.16 26.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.314 -178.937 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.435 HG21 ' HG3' ' A' ' 27' ' ' ARG . 2.6 pp -127.77 170.31 17.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.983 0.42 . . . . 0.0 112.033 -171.542 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.546 HG12 HD23 ' A' ' 81' ' ' LEU . 61.5 t -98.02 133.0 41.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.146 0.498 . . . . 0.0 111.43 -177.286 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -124.02 168.96 12.14 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 173.9 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -118.37 -4.18 10.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.218 0.532 . . . . 0.0 110.652 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.535 ' HB2' ' HB3' ' A' ' 36' ' ' SER . 6.4 m -103.59 122.15 44.38 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 171.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -64.57 -32.03 73.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.834 0.35 . . . . 0.0 110.978 -178.27 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -107.42 32.18 4.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.456 0.646 . . . . 0.0 110.286 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.535 ' HB3' ' HB2' ' A' ' 33' ' ' SER . 4.6 p -60.13 -42.61 95.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.536 177.884 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.429 ' HB2' HD11 ' A' ' 46' ' ' ILE . 88.8 m-85 -97.77 125.54 42.65 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.489 175.618 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.05 -98.65 2.51 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.252 -0.975 . . . . 0.0 111.833 -178.393 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 21.9 ptp -74.75 -10.95 60.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.326 0.584 . . . . 0.0 109.961 176.38 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.62 -57.86 4.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.503 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.519 HG22 ' O ' ' A' ' 21' ' ' PHE . 60.3 t -135.13 139.67 46.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.422 -177.835 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.75 136.03 57.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.418 0.449 . . . . 0.0 111.155 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -62.15 -20.64 64.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.542 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -68.27 -22.94 64.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.656 176.671 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.7 m -93.03 10.22 32.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.394 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.429 HD11 ' HB2' ' A' ' 37' ' ' PHE . 62.6 mt -112.11 109.77 29.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 175.457 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.0 m -121.41 126.17 26.6 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.215 -172.911 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -55.91 131.24 44.77 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.677 2.251 . . . . 0.0 111.534 175.662 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.456 ' HA ' ' HB3' ' A' ' 52' ' ' PHE . 9.2 t -64.76 -16.07 62.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.776 0.322 . . . . 0.0 111.069 -177.082 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.92 -30.85 71.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.704 177.698 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . 0.651 ' HA ' ' HD1' ' A' ' 54' ' ' TRP . 34.2 tt0 -116.85 -16.09 10.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.506 -177.085 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.456 ' HB3' ' HA ' ' A' ' 49' ' ' THR . 67.6 t80 -65.29 -23.12 66.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.227 0.537 . . . . 0.0 110.674 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.518 HG23 ' HB2' ' A' ' 12' ' ' ALA . 35.0 m -79.19 -8.87 11.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.105 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.651 ' HD1' ' HA ' ' A' ' 51' ' ' GLU . 97.0 m95 -101.13 136.24 41.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.511 0.672 . . . . 0.0 111.187 -176.523 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 55' ' ' SER . . . . . 0.466 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 46.1 t -117.92 112.8 20.81 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.678 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.9 t -69.96 121.8 18.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.984 0.421 . . . . 0.0 110.507 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.449 HG12 ' HD3' ' A' ' 63' ' ' ARG . 18.9 m -115.45 3.88 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.004 -178.82 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.513 ' HB2' ' HB ' ' A' ' 61' ' ' VAL . 1.6 mmt180 -161.34 -172.01 3.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.708 178.771 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.87 -47.53 84.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.081 0.467 . . . . 0.0 110.718 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -123.13 -22.4 5.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.389 -177.075 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.513 ' HB ' ' HB2' ' A' ' 58' ' ' ARG . 30.8 t -80.35 119.47 29.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.191 -176.049 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 65.7 mtt -114.35 158.62 21.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.863 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.466 ' HG2' ' O ' ' A' ' 55' ' ' SER . 29.1 ptt180 -122.13 151.51 40.88 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.1 tm? -78.07 115.08 17.54 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 173.273 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.74 131.88 10.99 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.151 -174.577 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.2 mtm-85 -69.46 -18.03 63.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.817 0.341 . . . . 0.0 111.472 174.646 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -67.43 -24.4 65.64 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -174.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -62.61 -34.92 77.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.214 0.53 . . . . 0.0 110.397 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.5 mt -66.6 -34.08 77.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.72 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.426 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 11.7 mm100 -60.38 -40.65 91.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.226 -178.96 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 67.6 mt -75.06 -44.0 44.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.998 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 71.9 mt -68.07 -32.88 73.52 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -176.399 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.426 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.3 pp -66.16 -26.3 67.36 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.83 0.347 . . . . 0.0 111.059 -178.076 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -68.02 -28.45 67.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.326 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -85.77 -37.97 18.72 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 58.75 55.25 4.77 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.762 0.791 . . . . 0.0 110.446 176.656 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.63 ' HB ' ' HB2' ' A' ' 80' ' ' ARG . 6.9 pt -130.42 49.12 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.184 -0.917 . . . . 0.0 109.542 -176.37 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.484 ' HA ' ' CD1' ' A' ' 83' ' ' ILE . 25.6 p-10 -53.6 -42.44 67.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.401 -0.818 . . . . 0.0 113.095 -171.993 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -78.46 -29.76 47.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.181 0.515 . . . . 0.0 110.454 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.63 ' HB2' ' HB ' ' A' ' 77' ' ' ILE . 20.8 mtp180 -68.73 -44.02 74.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.103 177.09 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.548 HD11 ' O ' ' A' ' 81' ' ' LEU . 2.5 tm? -83.63 -19.42 35.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.024 -178.62 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.497 ' HB2' ' O ' ' A' ' 81' ' ' LEU . 0.9 OUTLIER 77.41 34.82 0.35 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.592 178.587 . . . . . . . . 3 3 . 1 . 014 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.528 HD11 ' HB3' ' A' ' 81' ' ' LEU . 2.5 mp -59.76 121.26 7.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.928 0.394 . . . . 0.0 110.118 176.855 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.591 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -62.64 155.09 41.62 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.285 -0.87 . . . . 0.0 113.496 -176.038 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.542 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 2.0 mp0 -60.47 -47.75 95.47 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.542 ' HD2' ' N ' ' A' ' 85' ' ' GLU . 20.8 Cg_endo -61.59 -15.98 45.15 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 122.261 1.974 . . . . 0.0 112.746 176.921 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.591 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.1 mm? -72.57 -29.94 63.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.177 178.894 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.5 mp -74.16 -43.81 55.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.199 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 19.4 m -65.49 -32.71 59.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.904 0.383 . . . . 0.0 110.425 -178.61 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.588 ' HB2' HD12 ' A' ' 8' ' ' ILE . 85.4 t80 -56.46 -38.24 71.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.981 174.929 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.408 ' O ' HD11 ' A' ' 91' ' ' LEU . 2.9 tm? -73.5 -35.5 65.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.923 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.45 ' HA ' ' NE ' ' A' ' 92' ' ' ARG . 4.0 mmp_? -59.25 -54.29 48.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.085 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.615 ' NH1' ' HA ' ' A' ' 95' ' ' ASP . 3.0 tmm_? -159.95 101.72 1.45 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.064 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -66.56 131.05 45.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.166 0.508 . . . . 0.0 110.039 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.631 ' HB2' HG13 ' A' ' 3' ' ' ILE . 33.5 t70 -84.02 -54.41 4.87 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.544 -179.212 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.409 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 2.8 mm? -90.28 128.2 50.22 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 173.163 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.409 ' HD3' ' HA ' ' A' ' 96' ' ' LEU . 52.3 Cg_exo -54.97 -50.79 12.03 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.761 2.307 . . . . 0.0 111.844 -178.958 . . . . . . . . 2 2 . 1 . 014 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -134.94 103.81 5.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.559 176.775 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 61.2 mt -72.68 107.59 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.0 p -96.64 137.46 35.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.547 0.689 . . . . 0.0 112.386 -174.416 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.54 129.71 53.92 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.187 175.495 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -153.03 152.14 31.04 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -176.972 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -55.95 114.35 1.88 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -59.2 144.07 47.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.182 0.515 . . . . 0.0 111.48 -175.412 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.9 tp -75.36 -37.96 60.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.543 -175.492 . . . . . . . . 1 1 . 1 . 014 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 52.9 mtp85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.645 -0.693 . . . . 0.0 110.476 177.808 . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.2 mmm . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 015 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 m -106.44 145.86 31.24 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.498 -178.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.81 HG23 ' HB2' ' A' ' 95' ' ' ASP . 48.2 mm -75.48 145.13 11.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.163 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.466 ' HG1' ' HB ' ' A' ' 8' ' ' ILE . 45.9 p -92.54 178.87 5.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.254 0.549 . . . . 0.0 111.612 -177.045 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.413 ' O ' HG21 ' A' ' 8' ' ' ILE . 23.2 t -87.29 -169.61 2.69 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.698 178.182 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 m -50.76 -21.25 1.55 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.752 0.821 . . . . 0.0 112.327 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.62 -27.48 11.43 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 122.868 0.467 . . . . 0.0 111.354 177.492 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.54 HD12 ' HB2' ' A' ' 90' ' ' TYR . 13.7 tt -56.54 -36.48 48.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-O 121.043 0.449 . . . . 0.0 110.969 178.388 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.9 t -74.38 -32.16 62.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.623 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -74.19 -39.43 63.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.356 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.66 -30.32 71.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.443 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.439 ' HB3' HG21 ' A' ' 53' ' ' VAL . . . -67.08 -32.63 73.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.174 0.511 . . . . 0.0 110.593 177.183 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -76.12 -25.24 55.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.986 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.71 14.01 9.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.263 -175.092 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.3 mt -76.33 151.05 36.8 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 176.668 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.51 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 8.3 ptpp? -125.04 147.52 48.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.97 0.414 . . . . 0.0 111.244 -178.545 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.82 146.72 6.92 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.203 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -111.64 118.93 37.02 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.446 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 3.0 t -93.7 131.16 41.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -175.257 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.597 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -137.86 160.08 25.19 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.072 -176.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -91.82 134.16 35.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.929 0.395 . . . . 0.0 110.616 -178.015 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -106.51 111.23 23.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.684 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -76.34 -8.94 58.18 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -174.062 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -81.02 -45.03 17.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.094 0.473 . . . . 0.0 110.376 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.1 p -92.19 -20.71 20.91 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.057 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.27 34.2 46.69 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.118 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -137.13 170.19 16.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.96 0.409 . . . . 0.0 111.022 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -105.4 113.96 27.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.332 -176.666 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.72 ' HA ' HE22 ' A' ' 75' ' ' GLN . 2.4 pp -122.68 158.83 26.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.962 0.411 . . . . 0.0 112.084 -172.516 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.59 HG22 HE21 ' A' ' 75' ' ' GLN . 24.5 t -97.61 125.25 50.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.538 -178.081 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -113.6 141.1 47.6 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.102 176.76 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.9 12.0 32.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.56 0.695 . . . . 0.0 109.827 177.109 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 m -136.04 106.37 6.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.297 177.961 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -61.19 -30.52 70.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.07 0.462 . . . . 0.0 111.247 -177.235 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -79.49 15.57 1.26 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.038 -173.921 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 61.2 p -96.91 -6.22 36.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.064 0.459 . . . . 0.0 110.33 178.448 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -140.97 118.81 11.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.545 175.295 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.75 -90.61 2.08 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.014 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -106.04 11.11 31.88 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.176 0.512 . . . . 0.0 109.984 178.345 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -84.02 9.47 12.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.663 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 11.6 p -162.44 152.86 3.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.667 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.2 140.13 56.08 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 175.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -61.03 -32.38 71.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.065 0.459 . . . . 0.0 110.57 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.58 -15.8 63.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.919 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.597 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 67.0 m -94.07 -1.17 54.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.122 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.2 mt -105.21 103.18 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 169.887 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.4 m -129.19 123.6 21.76 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.891 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -56.73 133.67 59.51 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.464 2.109 . . . . 0.0 110.901 173.55 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.509 ' HA ' ' HB3' ' A' ' 52' ' ' PHE . 9.6 t -63.39 -17.56 62.76 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -175.613 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -62.44 -47.39 84.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.169 0.509 . . . . 0.0 109.884 175.766 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -88.41 -17.12 31.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.93 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.509 ' HB3' ' HA ' ' A' ' 49' ' ' THR . 63.4 t80 -63.2 -26.06 68.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 -178.097 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.439 HG21 ' HB3' ' A' ' 12' ' ' ALA . 11.5 m -87.03 -5.81 10.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.995 -178.385 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -112.36 119.61 38.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.1 0.476 . . . . 0.0 111.43 -177.548 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.2 t -99.89 114.04 27.0 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.694 175.529 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.7 p -67.16 117.17 8.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.207 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 25.1 m -109.49 -4.9 10.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.566 -177.787 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.445 ' HB3' HG12 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -164.86 -151.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.587 . . . . . . . . 3 3 . 1 . 015 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.41 ' H ' ' HG3' ' A' ' 58' ' ' ARG . 29.8 t70 -58.17 -59.28 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.336 -173.746 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -127.21 -21.86 3.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.887 0.375 . . . . 0.0 111.143 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.445 HG12 ' HB3' ' A' ' 58' ' ' ARG . 8.9 p -71.98 123.82 27.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-O 121.75 0.786 . . . . 0.0 111.578 -177.49 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 59.1 mtt -117.0 155.13 29.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.087 176.175 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.512 ' HG2' HG22 ' A' ' 100' ' ' THR . 30.0 mtp180 -120.55 147.67 44.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.632 0.253 . . . . 0.0 110.694 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -80.58 123.36 28.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.124 -177.917 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -99.33 120.39 6.84 Favored Glycine 0 CA--C 1.519 0.292 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.298 178.253 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -68.1 -18.34 64.62 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.849 0.357 . . . . 0.0 111.578 -178.523 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.78 -24.35 66.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.708 -176.737 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.532 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 1.5 pp0? -56.72 -39.49 74.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.814 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.522 HD13 ' HG3' ' A' ' 68' ' ' GLN . 5.8 mp -65.8 -36.4 83.41 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.922 0.391 . . . . 0.0 110.696 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.626 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 17.2 mt-30 -73.07 -30.98 64.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -177.281 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.5 mt -74.06 -42.47 52.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-O 120.89 0.376 . . . . 0.0 110.165 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.532 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 59.4 mt -67.44 -28.25 67.73 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -177.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.626 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.2 pp -66.02 -26.28 67.45 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.047 -178.009 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -80.91 -18.12 48.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.999 0.428 . . . . 0.0 110.769 178.607 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.72 HE22 ' HA ' ' A' ' 29' ' ' ILE . 5.1 mm100 -79.59 -36.35 38.25 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.582 -178.851 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 66.42 10.62 7.43 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.245 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.9 pp -105.15 40.17 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.578 0.704 . . . . 0.0 110.461 179.83 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.477 ' HA ' HD12 ' A' ' 83' ' ' ILE . 2.1 m-20 -55.96 -32.86 64.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.49 -177.745 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -69.98 -32.04 70.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.215 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -84.33 -39.15 19.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.881 0.372 . . . . 0.0 110.854 -174.635 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.51 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 8.0 tt -76.03 -22.52 55.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.273 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.5 m120 61.16 73.66 0.47 Allowed 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.791 -178.42 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.477 HD12 ' HA ' ' A' ' 78' ' ' ASN . 3.0 mp -77.57 132.16 33.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.689 177.586 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.566 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -61.45 148.34 47.0 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.778 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.537 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 43.0 tt0 -63.41 -49.2 79.87 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -179.202 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.537 ' HD2' ' N ' ' A' ' 85' ' ' GLU . 12.4 Cg_endo -56.97 -19.44 32.34 Favored 'Trans proline' 0 C--N 1.359 1.092 0 C-N-CA 122.263 1.975 . . . . 0.0 112.57 176.374 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.566 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.0 mm? -70.12 -36.39 74.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.039 177.973 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.9 -32.23 69.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.08 0.467 . . . . 0.0 109.855 175.273 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 62.1 t -65.79 -39.73 85.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.957 175.516 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.54 ' HB2' HD12 ' A' ' 8' ' ' ILE . 68.0 t80 -60.28 -32.08 70.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.881 177.022 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 52.0 tp -68.81 -28.09 66.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.335 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -80.24 -65.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.228 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.806 ' HB2' HD13 ' A' ' 3' ' ' ILE . 27.7 mmt180 -142.43 172.52 12.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.549 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.596 ' OE1' ' HA ' ' A' ' 97' ' ' PRO . 5.7 pt20 -146.05 123.59 11.76 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.346 0.594 . . . . 0.0 111.119 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.81 ' HB2' HG23 ' A' ' 3' ' ' ILE . 11.3 t70 -58.48 -50.16 74.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.734 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.3 mt -119.7 117.49 32.58 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.146 174.816 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.596 ' HA ' ' OE1' ' A' ' 94' ' ' GLN . 55.6 Cg_endo -71.52 -24.87 21.77 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.373 2.048 . . . . 0.0 111.871 -178.226 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -112.87 84.57 2.01 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.054 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 66.4 mt -86.94 114.72 26.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.438 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.512 HG22 ' HG2' ' A' ' 63' ' ' ARG . 18.7 p -109.55 149.54 29.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.839 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -133.72 120.17 20.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.581 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 20.1 pm0 -152.09 145.97 25.16 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.422 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.423 HH11 ' HD3' ' A' ' 103' ' ' ARG . 7.6 mmm180 -73.31 148.14 43.82 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.837 0.351 . . . . 0.0 110.577 -176.146 . . . . . . . . 2 2 . 1 . 015 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -69.57 97.35 1.02 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.443 0.639 . . . . 0.0 111.125 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 58.1 tp -91.49 -18.99 23.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.483 176.187 . . . . . . . . 1 1 . 1 . 015 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.683 179.502 . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 120.836 0.35 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 016 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 m -108.76 178.43 4.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.454 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.446 HD12 ' O ' ' A' ' 93' ' ' ARG . 47.2 mm -72.2 149.41 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.17 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.528 ' HG1' ' HB ' ' A' ' 8' ' ' ILE . 37.5 p -90.79 -176.67 4.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.951 -176.288 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -75.09 -171.68 1.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -51.88 -23.02 4.3 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.351 0.66 . . . . 0.0 112.067 -177.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -52.36 -26.25 11.86 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.67 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.571 HG13 ' HB2' ' A' ' 86' ' ' PRO . 12.8 tt -58.9 -34.37 52.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 120.908 0.385 . . . . 0.0 110.459 177.732 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.5 m -74.99 -35.76 62.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.116 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -74.0 -34.25 64.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.148 -177.672 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.22 -15.49 62.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.658 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.505 ' HB2' HG21 ' A' ' 53' ' ' VAL . . . -71.47 -15.92 62.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.152 0.501 . . . . 0.0 110.613 176.997 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -79.3 -16.39 56.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.049 178.222 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.32 -15.17 59.54 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.16 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.493 HD11 ' HA ' ' A' ' 12' ' ' ALA . 10.2 mp -65.19 121.2 14.21 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.146 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.524 ' HB3' ' HZ3' ' A' ' 16' ' ' LYS . 0.1 OUTLIER -115.64 144.62 43.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.763 -173.36 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 105.66 -173.08 19.91 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.206 -177.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.414 ' CZ ' ' HG2' ' A' ' 34' ' ' GLU . 66.9 m-85 -122.45 147.81 45.88 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.941 0.4 . . . . 0.0 110.371 -177.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.537 HG13 ' CD1' ' A' ' 28' ' ' TYR . 11.5 t -105.01 124.03 59.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 171.007 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.497 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -124.61 134.18 8.93 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.054 -1.07 . . . . 0.0 112.757 -174.417 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.497 ' HB3' ' HB3' ' A' ' 45' ' ' SER . 83.6 t80 -80.4 102.85 9.88 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 176.124 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -90.77 109.05 20.24 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.361 -176.313 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.5 ' HD3' ' O ' ' A' ' 40' ' ' ASP . 5.9 ptm180 -66.27 -14.03 61.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.603 -178.767 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . 0.442 ' HB2' ' HE2' ' A' ' 24' ' ' LYS . 18.0 ttmm -75.31 -35.67 61.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.009 0.433 . . . . 0.0 110.25 -178.338 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.2 p -100.89 -22.14 14.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.672 175.682 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.79 18.21 66.14 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.797 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.0 mtt180 -140.32 164.98 28.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 110.971 -175.045 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.537 ' CD1' HG13 ' A' ' 19' ' ' VAL . 3.6 m-85 -77.31 135.67 38.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.613 173.37 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 pp -132.59 160.03 42.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.714 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -82.71 135.26 25.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.274 0.559 . . . . 0.0 110.434 176.934 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.528 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 1.1 tpm_? -138.03 132.44 32.18 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.034 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -116.23 10.48 14.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.16 0.505 . . . . 0.0 110.479 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.573 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 7.1 m -118.52 116.66 27.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.869 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.414 ' HG2' ' CZ ' ' A' ' 18' ' ' PHE . 34.3 mt-10 -69.75 -27.69 65.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.331 -176.675 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -100.89 13.34 35.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.59 -177.813 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 36' ' ' SER . . . . . 0.573 ' HB2' ' HB2' ' A' ' 33' ' ' SER . 5.0 t -55.83 -58.65 6.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.081 -172.151 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -89.34 138.46 31.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.778 0.323 . . . . 0.0 110.872 -174.738 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.74 -94.25 0.73 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.996 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.65 -3.19 3.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.655 0.264 . . . . 0.0 111.285 178.756 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.5 ' O ' ' HD3' ' A' ' 23' ' ' ARG . 31.4 t70 -65.64 -46.11 80.48 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 174.211 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.487 HG21 ' HG2' ' A' ' 23' ' ' ARG . 49.7 t -106.33 136.07 42.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.785 177.016 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.51 141.93 56.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.731 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -73.27 -18.85 61.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.885 177.374 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.42 -16.04 63.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.112 176.246 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.497 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 49.8 m -91.57 1.21 57.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.715 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.8 mt -99.8 118.39 46.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.245 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.2 m -137.41 124.6 13.87 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.519 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.47 132.97 47.34 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.569 2.179 . . . . 0.0 111.194 177.712 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.458 HG23 ' HB3' ' A' ' 15' ' ' LEU . 10.0 t -65.33 -25.06 67.44 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -173.024 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.0 t -70.87 -30.4 66.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.926 0.393 . . . . 0.0 110.288 177.173 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -90.54 -32.16 16.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.253 0.549 . . . . 0.0 110.185 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -58.33 -29.92 66.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.908 -175.471 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.505 HG21 ' HB2' ' A' ' 12' ' ' ALA . 19.0 m -77.84 -20.34 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.792 0.33 . . . . 0.0 111.353 -177.667 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 98.0 m95 -102.83 136.71 42.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.943 0.401 . . . . 0.0 110.934 -178.261 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.7 m -114.63 105.89 13.59 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.898 174.373 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -71.3 115.26 10.25 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.8 m -123.22 -30.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -171.819 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.3 ttt-85 -147.58 124.34 11.2 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.179 -172.257 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 51.82 -102.61 0.13 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.627 0.58 . . . . 0.0 111.698 178.528 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.711 ' HB3' ' HG2' ' A' ' 103' ' ' ARG . 10.9 m-20 -127.44 21.35 6.62 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.77 ' HA ' ' HA ' ' A' ' 102' ' ' GLN . 5.2 t -102.03 118.16 48.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.499 -176.828 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 2.5 mpp? -106.68 128.12 53.93 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 177.086 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.522 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 3.6 ptm180 -100.11 147.71 25.37 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 119.754 -0.778 . . . . 0.0 109.693 178.458 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -70.3 113.63 7.65 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.87 94.95 1.0 Allowed Glycine 0 N--CA 1.441 -1.018 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.14 -15.76 4.19 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.976 0.417 . . . . 0.0 112.051 -176.276 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.88 -24.43 66.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.132 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.452 ' HG3' HD13 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -59.28 -38.46 80.23 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.696 0.284 . . . . 0.0 110.741 -178.928 . . . . . . . . 3 3 . 1 . 016 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.452 HD13 ' HG3' ' A' ' 68' ' ' GLN . 3.9 mp -73.61 -33.29 64.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.746 0.308 . . . . 0.0 110.274 -176.866 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.469 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 14.6 mm100 -67.89 -33.98 75.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.159 178.29 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.7 mt -75.37 -46.79 37.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.113 176.537 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.447 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 25.4 mt -67.93 -25.06 65.28 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -173.886 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.469 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.4 pp -62.95 -24.46 67.89 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.537 -177.921 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 35.0 mt-10 -74.78 -18.91 60.4 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.034 0.445 . . . . 0.0 110.464 176.107 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -100.72 87.61 3.38 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 172.308 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -70.31 -8.26 49.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.989 -171.761 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.3 pp -79.79 67.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.3 0.571 . . . . 0.0 112.275 -177.656 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.493 ' HA ' HD12 ' A' ' 83' ' ' ILE . 52.7 m-80 -64.92 -27.87 69.14 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 174.002 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -60.45 -33.24 72.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.858 -1.065 . . . . 0.0 110.941 174.878 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -87.42 -54.01 4.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.3 -172.417 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.7 tp -79.12 -19.88 50.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.903 -176.851 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.1 t30 63.83 85.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.125 -177.629 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.493 HD12 ' HA ' ' A' ' 78' ' ' ASN . 2.7 mp -94.42 132.68 37.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 174.587 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.605 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -56.22 148.03 29.91 Favored Glycine 0 C--N 1.33 0.209 0 CA-C-N 116.202 -0.454 . . . . 0.0 113.394 -175.678 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.446 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 4.0 mp0 -57.79 -52.75 72.12 Favored Pre-proline 0 C--N 1.324 -0.506 0 C-N-CA 122.463 0.305 . . . . 0.0 111.683 -178.045 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.571 ' HB2' HG13 ' A' ' 8' ' ' ILE . 20.2 Cg_endo -62.33 -17.3 56.64 Favored 'Trans proline' 0 C--N 1.358 1.051 0 C-N-CA 121.903 1.735 . . . . 0.0 112.349 177.104 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.605 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.0 mm? -70.23 -41.61 73.34 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 175.164 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.532 ' HA ' HD22 ' A' ' 91' ' ' LEU . 8.6 mp -64.69 -31.2 72.31 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.948 173.594 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.594 ' O ' ' HB2' ' A' ' 92' ' ' ARG . 85.3 t -62.77 -34.33 65.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.191 174.511 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -64.17 -36.76 85.12 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 175.518 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.532 HD22 ' HA ' ' A' ' 88' ' ' LEU . 2.6 mm? -65.4 -23.95 67.09 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.096 177.171 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.594 ' HB2' ' O ' ' A' ' 89' ' ' VAL . 8.5 mmm180 -59.64 -52.39 65.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.471 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.446 ' O ' HD12 ' A' ' 3' ' ' ILE . 13.4 tpt180 -163.14 123.64 2.31 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.538 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -78.08 72.19 4.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.669 0.747 . . . . 0.0 110.114 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.475 ' O ' ' HD3' ' A' ' 97' ' ' PRO . 20.8 t70 -66.26 -46.87 75.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.782 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.693 HD21 HG12 ' A' ' 99' ' ' ILE . 35.4 tp -97.04 103.12 13.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 176.457 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . 0.475 ' HD3' ' O ' ' A' ' 95' ' ' ASP . 8.5 Cg_exo -72.18 -24.1 20.46 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.824 2.35 . . . . 0.0 112.248 -176.155 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -128.51 94.72 3.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.49 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.693 HG12 HD21 ' A' ' 96' ' ' LEU . 54.7 mt -94.19 120.38 43.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.557 171.562 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.522 ' HA ' ' HA ' ' A' ' 63' ' ' ARG . 4.4 m -133.41 120.93 21.56 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -127.8 124.65 38.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.153 0.502 . . . . 0.0 111.16 -176.683 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.77 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 30.2 pt20 -86.44 149.17 25.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.047 178.877 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.711 ' HG2' ' HB3' ' A' ' 60' ' ' ASP . 5.1 ptm180 -89.03 121.46 31.4 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 173.947 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -99.87 83.11 2.68 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.234 0.54 . . . . 0.0 111.311 -172.867 . . . . . . . . 1 1 . 1 . 016 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.712 HD23 ' H ' ' A' ' 105' ' ' LEU . 1.6 pt? -89.51 20.78 3.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.851 174.907 . . . . . . . . 2 2 . 1 . 016 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.415 ' N ' ' HD2' ' A' ' 106' ' ' ARG . 7.6 mpt_? . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.433 -0.794 . . . . 0.0 109.823 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.8 mmt . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 017 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 m -103.48 177.87 4.72 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.451 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.647 HG13 ' HB2' ' A' ' 95' ' ' ASP . 33.4 mm -81.74 159.9 3.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.405 ' N ' HG23 ' A' ' 3' ' ' ILE . 35.0 p -92.5 -175.32 3.95 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.076 0.465 . . . . 0.0 111.501 -176.458 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 m -75.04 -170.25 1.09 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.326 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.0 m -51.2 -22.4 2.6 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.065 0.546 . . . . 0.0 111.766 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -51.87 -20.56 2.33 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.717 177.43 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.559 HD11 ' HB2' ' A' ' 90' ' ' TYR . 16.2 tt -55.23 -47.7 77.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.7 p -76.04 -29.65 58.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.032 0.444 . . . . 0.0 110.375 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -63.21 -41.13 99.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.569 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.13 79.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.865 178.315 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -66.95 -30.49 70.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.02 0.438 . . . . 0.0 110.851 179.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -75.01 -28.08 60.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.69 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.06 5.78 39.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.855 -176.69 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.513 HD23 ' O ' ' A' ' 82' ' ' ASN . 58.2 mt -71.36 128.73 36.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.828 0.347 . . . . 0.0 110.869 -179.252 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -114.08 145.21 41.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.971 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.558 ' O ' ' HA ' ' A' ' 48' ' ' PRO . . . 133.12 149.12 6.07 Favored Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -177.301 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -111.46 131.77 54.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.324 0.562 . . . . 0.0 110.942 -175.231 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.0 t -108.82 140.38 27.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.377 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.15 176.22 28.88 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.65 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -111.97 114.44 27.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.907 0.384 . . . . 0.0 110.503 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -87.86 107.12 18.53 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.64 ' HG2' ' HB3' ' A' ' 40' ' ' ASP . 9.8 ptp180 -77.86 -13.13 59.99 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -171.606 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -68.94 -46.63 67.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.1 0.476 . . . . 0.0 109.742 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.0 p -88.07 -25.3 23.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.552 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.89 29.68 50.64 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 -177.947 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -130.24 159.77 35.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 -176.086 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -79.23 141.81 36.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.421 173.996 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.7 pt -129.01 156.74 41.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.965 -176.531 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.748 HG12 ' HG ' ' A' ' 81' ' ' LEU . 59.2 t -117.99 114.93 46.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.528 173.971 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.663 ' HG3' ' H ' ' A' ' 33' ' ' SER . 28.2 tpt180 -123.63 147.0 47.77 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.756 -175.668 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -112.55 9.94 19.53 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.512 0.673 . . . . 0.0 109.777 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 33' ' ' SER . . . . . 0.663 ' H ' ' HG3' ' A' ' 31' ' ' ARG . 14.7 m -124.42 118.8 27.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.042 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . 0.408 ' O ' ' HD1' ' A' ' 37' ' ' PHE . 43.4 mt-10 -69.3 -22.06 63.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.882 0.373 . . . . 0.0 110.73 178.118 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -80.23 11.7 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.755 -175.872 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.6 m -99.45 -0.95 39.74 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -173.847 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.417 ' HD2' ' O ' ' A' ' 41' ' ' VAL . 4.4 p90 -95.61 132.74 40.45 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.917 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.49 -114.14 3.73 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.905 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.9 mmt -102.97 -10.27 19.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.018 0.437 . . . . 0.0 110.236 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.64 ' HB3' ' HG2' ' A' ' 23' ' ' ARG . 7.1 m-20 -83.27 -60.46 2.14 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.169 -178.778 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.417 ' O ' ' HD2' ' A' ' 37' ' ' PHE . 57.7 t -85.89 114.16 25.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.761 -177.244 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.41 154.37 29.02 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 172.206 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -66.86 -13.91 62.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.726 0.298 . . . . 0.0 110.986 -178.125 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.14 -27.61 66.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.026 0.441 . . . . 0.0 110.219 176.466 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.6 t -85.65 -14.01 46.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.471 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.3 mt -83.11 110.32 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.053 0.454 . . . . 0.0 110.093 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.1 m -136.95 124.59 14.38 Favored Pre-proline 0 C--N 1.318 -0.803 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.679 -179.344 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.558 ' HA ' ' O ' ' A' ' 17' ' ' GLY . 32.1 Cg_exo -57.64 143.15 95.57 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.627 2.218 . . . . 0.0 111.387 175.587 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 6.6 t -61.44 -21.51 64.21 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -175.154 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.2 t -62.68 -56.75 14.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.181 0.515 . . . . 0.0 110.08 174.737 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -75.64 -11.62 60.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.75 -178.878 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 80.7 t80 -75.64 -40.04 56.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.103 -178.757 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.44 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 34.9 m -79.33 -13.32 13.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -175.339 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -96.71 133.29 41.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.979 0.418 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.8 m -118.3 113.49 21.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.311 177.179 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 17.1 m -76.88 115.02 16.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.353 179.995 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.0 m -95.55 -25.09 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.971 0.415 . . . . 0.0 111.05 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -113.38 -73.34 0.67 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.51 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -170.13 -64.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 175.599 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -84.55 -34.82 23.17 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 172.374 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 35.3 t -72.05 108.59 3.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.85 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 44.7 mtm -111.99 145.14 40.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.948 178.015 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.49 ' HG2' HG23 ' A' ' 100' ' ' THR . 43.1 mtp180 -109.89 148.19 32.01 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.99 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -78.02 113.46 15.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.48 107.56 3.53 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.137 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.514 ' HA ' HD12 ' A' ' 69' ' ' LEU . 2.2 ppt_? -69.91 -18.59 63.4 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.319 -0.518 . . . . 0.0 111.912 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . 0.445 ' N ' ' HD2' ' A' ' 66' ' ' ARG . 7.0 mm-40 -63.03 -24.9 68.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.319 0.581 . . . . 0.0 110.531 177.561 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.44 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 10.1 mm-40 -70.34 -41.99 72.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.039 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.514 HD12 ' HA ' ' A' ' 66' ' ' ARG . 7.6 mp -64.45 -28.77 69.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.438 -179.374 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -62.82 -34.43 77.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.798 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 54.2 mt -74.89 -33.14 29.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.185 0.517 . . . . 0.0 110.354 177.925 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.7 mt -74.48 -43.9 53.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.414 -176.486 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 pp -61.05 -24.23 66.05 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -175.572 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -58.6 -34.1 70.73 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.902 0.382 . . . . 0.0 110.439 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -98.21 96.0 7.79 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 175.8 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -79.47 82.62 5.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.243 0.544 . . . . 0.0 112.456 -167.042 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.447 ' HB ' ' HB3' ' A' ' 80' ' ' ARG . 1.0 OUTLIER -149.08 76.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.946 169.842 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -52.95 -44.38 67.05 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.093 -174.697 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -75.94 -36.97 59.16 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.066 -176.733 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.447 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 64.3 ttt180 -71.01 -51.03 27.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.378 . . . . 0.0 110.364 -176.74 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.748 ' HG ' HG12 ' A' ' 30' ' ' VAL . 2.0 tt -68.46 -25.13 64.84 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.203 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.513 ' O ' HD23 ' A' ' 15' ' ' LEU . 3.3 t-20 70.98 76.97 0.18 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.963 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.477 ' CD1' ' HB3' ' A' ' 81' ' ' LEU . 3.1 mp -104.01 125.75 58.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 171.598 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.604 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -59.87 146.62 44.71 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.373 -177.314 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.467 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 30.4 tt0 -62.98 -43.32 81.87 Favored Pre-proline 0 C--N 1.317 -0.822 0 O-C-N 122.913 -0.169 . . . . 0.0 111.366 -179.089 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.526 ' CB ' ' HA ' ' A' ' 8' ' ' ILE . 50.3 Cg_exo -57.58 -19.83 38.88 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 122.006 1.804 . . . . 0.0 112.465 171.386 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.604 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.3 mm? -78.58 -30.36 46.69 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 177.667 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . 0.559 ' O ' ' HG2' ' A' ' 92' ' ' ARG . 11.0 mp -64.8 -45.96 84.07 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.495 176.506 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 34.0 m -68.39 -33.21 59.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.263 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.559 ' HB2' HD11 ' A' ' 8' ' ' ILE . 70.3 t80 -62.77 -35.71 80.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.18 175.64 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.407 HD21 ' HA ' ' A' ' 91' ' ' LEU . 0.6 OUTLIER -70.52 -35.68 73.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.654 178.034 . . . . . . . . 3 3 . 1 . 017 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.559 ' HG2' ' O ' ' A' ' 88' ' ' LEU . 10.8 mmp_? -61.42 -57.54 11.8 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.465 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -153.92 137.46 15.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.225 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -81.66 134.28 35.46 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.139 0.495 . . . . 0.0 110.351 -179.538 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.647 ' HB2' HG13 ' A' ' 3' ' ' ILE . 29.2 t70 -86.27 -48.11 8.81 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.786 178.552 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.544 ' O ' HG13 ' A' ' 99' ' ' ILE . 94.1 mt -123.67 106.48 32.15 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.613 176.718 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -63.63 -4.05 6.42 Favored 'Trans proline' 0 N--CA 1.474 0.332 0 C-N-CA 123.159 2.572 . . . . 0.0 112.619 176.094 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -129.12 46.72 2.58 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.522 -175.946 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.544 HG13 ' O ' ' A' ' 96' ' ' LEU . 64.5 mt -71.65 109.43 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.267 0.556 . . . . 0.0 109.528 175.396 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 100' ' ' THR . . . . . 0.49 HG23 ' HG2' ' A' ' 63' ' ' ARG . 2.7 p -125.72 152.54 45.17 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.224 -175.869 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -127.81 125.24 39.43 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 174.66 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -143.66 108.9 5.02 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.065 0.46 . . . . 0.0 110.993 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -77.07 104.51 7.61 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.214 0.531 . . . . 0.0 110.419 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -101.1 159.37 15.29 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.051 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.83 35.39 2.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.403 0.62 . . . . 0.0 111.317 -170.899 . . . . . . . . 2 2 . 1 . 017 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.484 ' HD2' ' O ' ' A' ' 106' ' ' ARG . 8.0 ppt_? . . . . . 0 C--N 1.312 -1.042 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.603 173.249 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.484 1.244 0 CA-C-O 120.744 0.307 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 018 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 p -103.6 159.62 15.45 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.167 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.492 HG13 ' H ' ' A' ' 95' ' ' ASP . 34.2 mm -69.12 141.1 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.722 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.4 p -91.73 -173.81 3.65 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.026 -173.509 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.443 ' O ' HG23 ' A' ' 8' ' ' ILE . 10.6 m -65.41 -172.11 0.1 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.434 -176.303 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 m -52.75 -22.63 5.48 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.421 0.688 . . . . 0.0 112.296 -176.221 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.67 -28.31 14.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.933 178.62 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.549 HD11 ' HB2' ' A' ' 90' ' ' TYR . 15.4 tt -61.0 -39.2 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 120.943 0.401 . . . . 0.0 110.796 177.794 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.7 t -75.17 -33.07 61.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.525 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -72.97 -38.82 66.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.229 -177.335 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.57 -27.9 67.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.763 0.316 . . . . 0.0 111.0 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.72 -17.88 64.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.121 0.486 . . . . 0.0 110.831 178.026 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -90.02 -24.06 21.32 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.124 177.134 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.05 0.93 52.18 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.526 -176.144 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.533 ' HB2' ' HB3' ' A' ' 50' ' ' SER . 50.7 mt -65.15 125.58 25.44 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.119 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -122.0 146.32 47.27 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.911 0.386 . . . . 0.0 110.372 -177.519 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 121.64 148.86 7.95 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -175.377 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -112.09 129.21 56.3 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.815 0.308 . . . . 0.0 110.315 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.36 137.68 32.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.053 0.454 . . . . 0.0 110.41 176.29 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -147.5 145.38 13.97 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.369 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -78.26 114.12 16.85 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -88.66 118.21 28.17 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 3.1 ptm180 -64.76 -24.9 67.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.739 -177.459 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -76.41 -52.14 10.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 111.102 -176.617 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.6 p -80.65 -26.67 37.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.168 0.509 . . . . 0.0 110.878 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.73 25.98 57.27 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.102 178.147 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -133.89 169.23 17.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.043 0.449 . . . . 0.0 111.309 -178.207 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -96.08 107.38 19.68 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.309 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 pp -116.65 158.38 17.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.991 0.424 . . . . 0.0 111.777 -172.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.5 p -104.4 148.71 8.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.432 -178.239 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.51 147.22 23.13 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.57 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -93.82 -5.13 48.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.023 0.439 . . . . 0.0 110.876 -178.775 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 16.4 m -119.84 110.48 16.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.44 -174.951 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -62.74 -30.83 71.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.706 174.634 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -70.2 -6.7 36.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.321 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 8.7 t -91.74 -1.71 57.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.184 0.516 . . . . 0.0 109.955 -176.953 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -106.66 121.14 43.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.412 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.72 -121.88 1.01 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.955 177.708 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -104.8 -7.22 19.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.901 0.381 . . . . 0.0 110.378 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 42.8 m-20 -65.67 -47.98 73.68 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.496 179.066 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.6 t -99.41 119.75 47.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.239 176.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.22 145.54 55.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.029 -177.296 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -63.41 -29.49 70.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.558 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -79.67 -18.62 50.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.622 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 98.5 p -89.64 -9.64 48.89 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.987 0.422 . . . . 0.0 110.152 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.2 mt -79.81 102.15 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 174.48 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.8 m -124.46 129.65 24.59 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.565 -177.367 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -55.69 139.69 83.49 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.354 2.036 . . . . 0.0 111.151 173.744 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.469 HG23 ' HB3' ' A' ' 15' ' ' LEU . 7.5 t -59.04 -26.7 64.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.655 0.264 . . . . 0.0 111.375 -177.343 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 50' ' ' SER . . . . . 0.533 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 1.2 p -71.22 -42.89 68.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.061 0.457 . . . . 0.0 110.634 175.611 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -73.27 -23.48 60.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.213 0.53 . . . . 0.0 110.037 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -68.44 -45.09 73.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.3 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.5 m -72.54 -21.83 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.501 -175.117 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.488 ' HD1' ' O ' ' A' ' 50' ' ' SER . 98.9 m95 -91.79 120.75 32.79 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.136 0.493 . . . . 0.0 110.518 178.157 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.8 m -119.65 113.56 20.86 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.692 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.565 ' HA ' ' HA ' ' A' ' 62' ' ' MET . 10.7 t -72.59 127.73 33.44 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.41 -177.852 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.2 m -104.34 0.42 10.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.596 0.713 . . . . 0.0 109.749 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.444 ' HG3' ' H ' ' A' ' 59' ' ' ASP . 6.1 tpt180 -149.03 -154.14 0.54 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.432 -179.468 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.444 ' H ' ' HG3' ' A' ' 58' ' ' ARG . 36.0 t70 -89.56 -36.85 15.1 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.75 178.088 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . 0.531 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 7.4 m-20 -126.9 11.7 7.18 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.612 177.414 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.431 HG22 ' HB3' ' A' ' 102' ' ' GLN . 19.5 t -112.01 111.57 36.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.702 0.287 . . . . 0.0 110.304 -177.623 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.565 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 58.5 mtm -115.19 139.2 50.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.833 -177.131 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.564 ' NH2' ' HA2' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -107.45 142.05 37.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.322 176.339 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.5 tm? -76.44 117.85 18.52 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 173.996 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . 0.564 ' HA2' ' NH2' ' A' ' 63' ' ' ARG . . . -86.28 107.82 3.22 Favored Glycine 0 N--CA 1.443 -0.9 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.123 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.448 ' HB3' ' CE2' ' A' ' 90' ' ' TYR . 24.2 ptt180 -70.12 -27.18 64.36 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 122.496 -0.414 . . . . 0.0 111.241 176.912 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -63.89 -24.07 67.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.389 0.614 . . . . 0.0 109.965 177.966 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -70.45 -40.72 73.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.685 -178.698 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.4 mt -64.2 -29.05 70.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.528 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.404 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 23.4 mt-30 -73.66 -26.1 60.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.889 0.376 . . . . 0.0 110.951 178.679 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 66.6 mt -73.82 -36.55 46.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.534 0.683 . . . . 0.0 109.223 174.472 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.773 ' HB3' HD22 ' A' ' 81' ' ' LEU . 79.6 mt -75.42 -25.75 57.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.686 177.662 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.653 HD12 HD21 ' A' ' 91' ' ' LEU . 42.7 tp -54.44 -26.03 28.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.187 -178.539 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -66.03 -18.95 65.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.856 0.36 . . . . 0.0 111.127 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -99.82 111.52 23.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.938 176.971 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -84.46 2.06 42.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.306 -176.582 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.467 ' HB ' ' HB3' ' A' ' 80' ' ' ARG . 1.4 pp -90.27 74.54 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.569 0.699 . . . . 0.0 110.603 176.325 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -63.72 -30.76 71.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.254 -172.334 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -80.71 -35.99 32.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.884 0.373 . . . . 0.0 110.131 -179.031 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.467 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 73.2 ttt180 -69.43 -41.76 75.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.662 0.744 . . . . 0.0 109.592 176.501 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.782 ' HG ' HD12 ' A' ' 83' ' ' ILE . 21.2 tp -72.53 -19.79 61.46 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.311 177.97 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 68.53 27.13 6.28 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.624 -0.717 . . . . 0.0 112.773 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.782 HD12 ' HG ' ' A' ' 81' ' ' LEU . 1.4 mp -77.47 125.46 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.979 0.418 . . . . 0.0 109.934 175.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.466 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -66.84 164.8 42.52 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.661 -0.7 . . . . 0.0 113.77 -174.171 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.48 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 15.1 tp10 -62.61 -51.84 69.46 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 115.586 -0.307 . . . . 0.0 111.549 -179.23 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.538 ' HB2' HG13 ' A' ' 8' ' ' ILE . 16.7 Cg_endo -58.98 -24.36 72.81 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 121.937 1.758 . . . . 0.0 112.052 176.85 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.466 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.8 mm? -69.79 -36.48 75.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.764 177.191 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.78 -38.42 83.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.95 176.196 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.72 -41.69 93.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.895 176.312 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.549 ' HB2' HD11 ' A' ' 8' ' ' ILE . 33.4 t80 -62.92 -35.24 79.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.225 178.097 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.653 HD21 HD12 ' A' ' 73' ' ' LEU . 52.3 tp -73.06 -37.21 66.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.782 178.513 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -62.84 -63.73 1.12 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.623 0.249 . . . . 0.0 111.384 176.741 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -148.01 96.88 2.71 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.845 0.355 . . . . 0.0 110.079 -177.88 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . 0.431 ' HA ' HD13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -83.3 133.01 34.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.236 0.541 . . . . 0.0 110.738 -178.905 . . . . . . . . 3 3 . 1 . 018 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . 0.492 ' H ' HG13 ' A' ' 3' ' ' ILE . 16.4 t70 -86.33 -42.01 14.05 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.518 178.09 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . 0.486 HD22 HG12 ' A' ' 99' ' ' ILE . 3.3 mp -92.07 123.0 64.06 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.498 177.636 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.64 -37.46 28.72 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.302 2.001 . . . . 0.0 111.188 175.204 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -138.17 102.03 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.653 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . 0.486 HG12 HD22 ' A' ' 96' ' ' LEU . 59.3 mt -74.68 105.26 3.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 171.656 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.61 120.34 41.23 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.081 0.467 . . . . 0.0 110.751 -173.624 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.71 139.44 53.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.039 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . 0.531 ' HA ' ' O ' ' A' ' 60' ' ' ASP . 14.6 pt20 -137.0 136.61 38.62 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.117 0.484 . . . . 0.0 111.06 -178.327 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -83.08 89.35 6.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.649 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -102.11 171.95 7.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.239 -175.224 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.605 ' H ' HD22 ' A' ' 105' ' ' LEU . 2.4 pt? -122.39 18.9 10.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.004 0.431 . . . . 0.0 110.806 -176.894 . . . . . . . . 2 2 . 1 . 018 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.613 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 1.2 mmp_? . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.1 -177.712 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 1' ' ' MET . . . . . 0.449 ' HB3' HG11 ' A' ' 89' ' ' VAL . 65.7 mtt . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 120.912 0.387 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 m -73.72 140.22 45.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.837 177.553 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.7 mm -69.18 137.1 24.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.511 ' HG1' ' HB ' ' A' ' 8' ' ' ILE . 40.5 p -91.09 -178.12 5.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.413 0.625 . . . . 0.0 112.372 -167.639 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -79.47 -169.87 2.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.314 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.5 m -50.49 -22.75 2.07 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.798 0.839 . . . . 0.0 112.046 -178.44 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -52.1 -28.52 17.96 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 123.089 0.556 . . . . 0.0 111.653 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.555 HD12 ' HB2' ' A' ' 90' ' ' TYR . 14.9 tt -58.49 -37.07 62.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 120.844 0.354 . . . . 0.0 111.125 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.1 t -75.47 -34.73 60.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.04 0.448 . . . . 0.0 110.78 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -74.41 -40.01 62.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.99 -176.684 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.04 -15.78 63.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.791 -177.288 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.69 -23.98 65.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.214 0.531 . . . . 0.0 110.392 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -90.68 -1.43 57.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.612 0.72 . . . . 0.0 110.271 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.12 5.03 51.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.272 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.424 ' HB3' HG23 ' A' ' 49' ' ' THR . 10.5 mp -83.07 139.63 33.12 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.145 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.504 ' HZ1' ' HB2' ' A' ' 16' ' ' LYS . 0.0 OUTLIER -122.3 153.6 38.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.953 0.406 . . . . 0.0 111.148 -176.653 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . 0.545 ' HA2' ' HB3' ' A' ' 32' ' ' PHE . . . 107.42 164.71 21.86 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.389 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -112.99 146.41 39.11 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.481 HG22 HG13 ' A' ' 30' ' ' VAL . 12.9 t -105.39 128.82 59.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 175.554 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.64 150.52 22.74 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.414 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -93.06 114.91 27.57 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -87.29 137.85 31.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.119 0.485 . . . . 0.0 110.386 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . 0.406 ' HE ' ' CG ' ' A' ' 40' ' ' ASP . 36.8 ptt180 -95.09 3.39 54.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.273 0.559 . . . . 0.0 109.569 177.212 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -67.09 -44.11 80.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.064 176.085 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 25' ' ' THR . . . . . 0.494 HG21 ' HG2' ' A' ' 27' ' ' ARG . 9.5 t -131.41 -9.82 3.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.189 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.58 44.65 7.76 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.601 177.192 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . 0.494 ' HG2' HG21 ' A' ' 25' ' ' THR . 31.4 mmt180 -127.4 150.91 49.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.772 0.32 . . . . 0.0 110.429 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -89.88 105.24 17.67 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . 0.726 HD13 ' HZ ' ' A' ' 37' ' ' PHE . 2.7 pp -117.55 166.35 11.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.617 -169.788 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.481 HG13 HG22 ' A' ' 19' ' ' VAL . 33.7 m -116.29 141.31 34.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.156 176.71 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -168.0 132.88 1.79 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.545 ' HB3' ' HA2' ' A' ' 17' ' ' GLY . 22.2 p90 -94.52 39.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.308 0.575 . . . . 0.0 110.992 -177.238 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.7 t -143.05 109.15 5.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.61 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -67.75 -25.2 65.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.036 0.446 . . . . 0.0 110.964 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -70.89 -10.07 58.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.608 -177.115 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.7 p -62.59 -27.12 68.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.411 -178.131 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.726 ' HZ ' HD13 ' A' ' 29' ' ' ILE . 65.2 m-85 -108.58 -64.53 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 111.147 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.45 -110.81 3.33 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.645 -178.882 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.94 -4.23 56.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.316 0.579 . . . . 0.0 109.91 178.308 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . 0.406 ' CG ' ' HE ' ' A' ' 23' ' ' ARG . 24.6 t70 -72.12 -43.86 64.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.573 -177.908 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.6 t -135.27 128.05 48.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.952 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.45 146.1 54.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.861 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -74.68 -8.34 56.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.695 -173.484 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.95 -20.36 52.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.221 0.534 . . . . 0.0 109.756 175.225 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.3 t -83.27 -18.06 40.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.388 176.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.3 mt -91.13 116.77 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.803 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.0 m -122.73 124.8 26.57 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.049 -175.818 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.53 131.93 38.7 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.715 2.277 . . . . 0.0 111.193 175.673 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.424 HG23 ' HB3' ' A' ' 15' ' ' LEU . 13.5 t -63.3 -25.37 68.28 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -173.345 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.3 p -73.1 -24.26 60.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.956 0.408 . . . . 0.0 110.941 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -96.27 -25.64 15.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.277 0.56 . . . . 0.0 109.837 176.468 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -60.36 -36.7 78.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.395 -177.883 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.514 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 27.5 m -70.0 -19.02 22.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.497 -178.369 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -98.24 116.49 30.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.03 0.443 . . . . 0.0 110.135 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.8 t -103.27 112.63 25.6 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.203 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.9 t -69.82 116.67 10.48 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 16.4 m -119.51 9.61 6.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.059 -177.176 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.442 ' HB3' HG11 ' A' ' 61' ' ' VAL . 3.8 ttt180 -163.88 -162.34 0.7 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.941 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -59.46 -63.2 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.843 -175.376 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -127.78 14.96 6.97 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.442 HG11 ' HB3' ' A' ' 58' ' ' ARG . 14.5 p -114.47 130.39 68.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.46 0.648 . . . . 0.0 111.525 -178.389 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 67.8 mtm -116.48 134.9 54.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.673 177.65 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.464 HH21 ' HG2' ' A' ' 98' ' ' GLU . 7.4 ptm180 -95.98 134.8 38.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.224 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -73.01 111.86 8.51 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 175.193 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -96.91 115.15 5.16 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.54 -0.838 . . . . 0.0 111.65 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . 0.484 ' HA ' HD12 ' A' ' 69' ' ' LEU . 9.0 ptm180 -69.27 -19.38 63.92 Favored 'General case' 0 C--N 1.317 -0.804 0 O-C-N 122.324 -0.515 . . . . 0.0 111.409 177.842 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.0 pm0 -61.04 -24.82 66.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.125 0.488 . . . . 0.0 110.699 176.647 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.514 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 8.6 mm-40 -70.49 -38.93 74.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.732 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.484 HD12 ' HA ' ' A' ' 66' ' ' ARG . 7.6 mp -67.82 -28.95 68.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.414 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.634 HE21 ' HA ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -65.28 -33.16 75.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.207 177.179 . . . . . . . . 3 3 . 1 . 019 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 66.6 mt -70.72 -43.23 77.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.07 0.462 . . . . 0.0 110.206 177.354 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.7 -33.41 75.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.375 0.607 . . . . 0.0 110.003 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 41.7 tp -66.58 -26.59 67.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.719 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 28.7 mm-40 -73.79 -34.56 64.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.369 175.961 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -65.93 -41.18 91.66 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 171.905 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 78.29 -12.67 1.05 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.901 168.857 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.447 HD13 HG21 ' A' ' 30' ' ' VAL . 1.7 pp -79.6 74.11 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.858 0.837 . . . . 0.0 111.496 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.492 ' HA ' HD13 ' A' ' 83' ' ' ILE . 26.5 t-20 -63.08 -38.07 89.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.767 -174.512 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -80.48 -28.97 37.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.659 0.266 . . . . 0.0 111.398 -176.965 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 19.3 tpt180 -73.59 -51.34 17.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.992 0.425 . . . . 0.0 110.607 179.646 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.499 ' O ' HD12 ' A' ' 81' ' ' LEU . 1.7 tm? -73.1 -29.46 62.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.335 178.965 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.5 t30 66.95 80.13 0.22 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.663 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.492 HD13 ' HA ' ' A' ' 78' ' ' ASN . 3.9 mp -94.56 127.78 46.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.302 176.051 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.553 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -58.72 148.58 38.52 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.858 -178.484 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.723 ' HG3' ' HD3' ' A' ' 86' ' ' PRO . 4.4 pt-20 -65.72 -39.37 31.28 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.723 ' HD3' ' HG3' ' A' ' 85' ' ' GLU . 34.9 Cg_endo -66.34 -15.4 47.98 Favored 'Trans proline' 0 C--N 1.361 1.213 0 C-N-CA 121.352 1.368 . . . . 0.0 111.815 174.337 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.553 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.6 mm? -77.16 -34.59 56.4 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 176.457 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 99.7 mt -67.5 -38.57 84.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.773 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.449 HG11 ' HB3' ' A' ' 1' ' ' MET . 15.2 m -71.48 -33.35 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.109 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.555 ' HB2' HD12 ' A' ' 8' ' ' ILE . 49.6 t80 -65.76 -36.29 83.13 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 121.221 0.534 . . . . 0.0 110.404 177.942 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 10.0 tt -64.86 -23.25 67.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.166 177.998 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.586 ' HA ' ' NE ' ' A' ' 92' ' ' ARG . 3.0 mmp_? -88.54 -57.04 3.06 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.748 178.239 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -142.85 152.7 42.44 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -178.287 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -134.75 141.73 46.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.062 178.579 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -96.07 -21.3 18.05 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 175.758 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.9 mt -115.08 115.64 42.92 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.108 172.475 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.63 -44.22 41.53 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 123.009 2.472 . . . . 0.0 112.636 -177.907 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . 0.464 ' HG2' HH21 ' A' ' 63' ' ' ARG . 51.6 mt-10 -135.52 118.34 16.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.318 178.042 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 63.8 mt -88.91 104.88 15.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 174.24 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.5 p -101.77 133.64 46.18 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.539 -177.457 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.34 132.58 55.35 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.613 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -145.28 144.71 30.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.087 -175.515 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . 0.419 HH11 ' HD3' ' A' ' 103' ' ' ARG . 50.5 mtt180 -121.26 101.37 7.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.376 177.174 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . 0.464 ' OE1' ' HB2' ' A' ' 106' ' ' ARG . 11.8 pt20 -125.82 169.54 12.51 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.251 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 38.3 tp -100.89 1.37 39.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.219 0.533 . . . . 0.0 110.345 -177.671 . . . . . . . . 1 1 . 1 . 019 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.464 ' HB2' ' OE1' ' A' ' 104' ' ' GLN . 37.8 mtm180 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.277 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.805 0.336 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 020 nuclear orig full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 p -81.69 155.55 25.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.112 175.288 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 3' ' ' ILE . . . . . 0.738 HG13 HH11 ' A' ' 93' ' ' ARG . 48.0 mm -77.75 142.51 14.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.116 0.484 . . . . 0.0 110.378 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 4' ' ' THR . . . . . 0.5 ' HG1' ' HB ' ' A' ' 8' ' ' ILE . 41.0 p -91.82 179.8 5.52 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.887 -177.512 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 5' ' ' SER . . . . . 0.442 ' O ' HG22 ' A' ' 8' ' ' ILE . 15.6 m -77.98 -170.45 1.92 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.429 176.552 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.0 m -50.63 -22.06 1.86 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.303 0.641 . . . . 0.0 112.593 -176.55 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.39 -21.84 4.04 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 122.863 0.465 . . . . 0.0 111.455 176.324 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 8' ' ' ILE . . . . . 0.534 HD11 ' HB2' ' A' ' 90' ' ' TYR . 14.1 tt -58.37 -38.21 68.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 111.089 177.166 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 9' ' ' CYS . . . . . 0.476 ' SG ' ' HH2' ' A' ' 54' ' ' TRP . 51.7 t -73.94 -30.49 62.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.296 0.57 . . . . 0.0 110.206 -178.989 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -74.16 -34.09 63.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.749 -177.569 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.45 -20.81 66.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.734 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 12' ' ' ALA . . . . . 0.516 ' HB1' HG22 ' A' ' 53' ' ' VAL . . . -64.99 -26.35 68.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.358 . . . . 0.0 111.352 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -87.21 -18.34 30.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.071 0.462 . . . . 0.0 110.553 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.72 -5.55 43.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.532 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 15' ' ' LEU . . . . . 0.54 ' CD2' ' HA ' ' A' ' 83' ' ' ILE . 54.0 mt -65.48 156.35 32.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.179 178.2 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 16' ' ' LYS . . . . . 0.516 ' HG2' ' HB2' ' A' ' 82' ' ' ASN . 17.5 ptpt -140.31 147.37 39.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.85 0.357 . . . . 0.0 110.768 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.39 162.82 13.67 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.867 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 18' ' ' PHE . . . . . 0.446 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 81.2 m-85 -114.61 159.55 20.32 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.795 0.331 . . . . 0.0 110.337 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 19' ' ' VAL . . . . . 0.404 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 15.2 t -119.44 131.66 71.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 173.15 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 20' ' ' GLY . . . . . 0.426 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -142.0 149.63 21.34 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.973 -176.91 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 21' ' ' PHE . . . . . 0.436 ' HA ' ' HA ' ' A' ' 28' ' ' TYR . 53.2 t80 -90.92 106.44 18.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.872 0.367 . . . . 0.0 110.677 -177.578 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -79.15 106.92 11.53 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 174.985 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -75.21 -16.05 60.51 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -174.972 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -64.84 -52.03 58.88 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -89.02 -18.26 27.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.034 175.776 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.39 44.6 16.55 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.535 177.883 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.8 mtp85 -136.9 149.78 47.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.001 0.429 . . . . 0.0 111.036 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 28' ' ' TYR . . . . . 0.436 ' HA ' ' HA ' ' A' ' 21' ' ' PHE . 7.2 t80 -94.24 101.68 13.67 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 178.233 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 pp -126.82 -180.0 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -168.325 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 30' ' ' VAL . . . . . 0.533 HG23 ' HG3' ' A' ' 75' ' ' GLN . 34.5 m -83.16 141.5 14.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.31 0.576 . . . . 0.0 111.72 -176.658 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 31' ' ' ARG . . . . . 0.467 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 2.5 mmp_? -136.53 132.73 35.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.89 179.182 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 32' ' ' PHE . . . . . 0.506 ' CZ ' ' HG3' ' A' ' 80' ' ' ARG . 93.7 m-85 -111.75 26.75 10.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.855 0.836 . . . . 0.0 109.236 177.63 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.3 t -152.34 114.44 4.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.489 -1.232 . . . . 0.0 109.523 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -70.04 -29.48 66.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.451 0.643 . . . . 0.0 109.505 174.432 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -69.71 -12.71 61.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.713 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.1 t -61.1 -32.41 72.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.809 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 37' ' ' PHE . . . . . 0.602 ' HB2' HD13 ' A' ' 46' ' ' ILE . 56.2 m-85 -117.72 97.65 5.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.133 0.492 . . . . 0.0 110.526 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.53 14.39 7.7 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.675 177.721 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.8 ptp -149.87 135.59 18.49 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 69.17 -56.55 0.54 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.727 0.811 . . . . 0.0 112.414 178.122 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 41' ' ' VAL . . . . . 0.409 ' HB ' ' HB3' ' A' ' 37' ' ' PHE . 30.4 t -76.15 125.52 35.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.516 -176.788 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.82 148.63 40.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.546 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -68.54 -14.12 62.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.167 0.508 . . . . 0.0 110.622 -179.254 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -68.73 -23.17 64.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.295 174.641 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 45' ' ' SER . . . . . 0.426 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 35.2 t -80.83 -0.98 41.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.233 178.834 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 46' ' ' ILE . . . . . 0.602 HD13 ' HB2' ' A' ' 37' ' ' PHE . 60.5 mt -111.89 103.28 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.719 178.104 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 56.2 m -119.53 127.41 26.45 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.687 -178.542 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 48' ' ' PRO . . . . . 0.446 ' HA ' ' HA ' ' A' ' 18' ' ' PHE . 22.1 Cg_endo -62.19 135.73 56.18 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.614 2.209 . . . . 0.0 111.405 175.966 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 49' ' ' THR . . . . . 0.521 ' HA ' ' HB3' ' A' ' 52' ' ' PHE . 9.9 t -63.8 -18.94 64.61 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -174.149 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 m -64.57 -35.51 81.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.021 0.439 . . . . 0.0 110.659 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -99.47 -22.25 15.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.361 0.6 . . . . 0.0 110.174 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 52' ' ' PHE . . . . . 0.521 ' HB3' ' HA ' ' A' ' 49' ' ' THR . 68.8 t80 -63.6 -24.0 67.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.983 -175.146 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 53' ' ' VAL . . . . . 0.516 HG22 ' HB1' ' A' ' 12' ' ' ALA . 10.9 m -85.15 -2.19 7.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.73 0.3 . . . . 0.0 111.379 -177.366 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 54' ' ' TRP . . . . . 0.476 ' HH2' ' SG ' ' A' ' 9' ' ' CYS . 88.7 m95 -108.48 120.89 43.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.006 0.432 . . . . 0.0 110.764 -178.582 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.5 m -112.05 128.67 56.26 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.419 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 56' ' ' SER . . . . . 0.517 ' HA ' ' HG2' ' A' ' 62' ' ' MET . 19.8 m -70.54 115.73 10.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.036 -178.069 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 57' ' ' VAL . . . . . 0.488 HG23 ' HG3' ' A' ' 63' ' ' ARG . 33.5 m -113.31 -1.04 9.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.371 0.605 . . . . 0.0 110.025 176.952 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 58' ' ' ARG . . . . . 0.438 ' HB3' ' HB ' ' A' ' 61' ' ' VAL . 9.8 tpt180 -148.62 -161.9 1.44 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -178.406 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 59' ' ' ASP . . . . . 0.4 ' H ' ' HG3' ' A' ' 58' ' ' ARG . 34.4 t70 -67.3 -62.85 1.22 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.772 0.32 . . . . 0.0 110.765 -179.008 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -112.92 -22.6 10.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.337 0.589 . . . . 0.0 109.842 176.798 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 61' ' ' VAL . . . . . 0.438 ' HB ' ' HB3' ' A' ' 58' ' ' ARG . 31.9 t -70.88 115.33 10.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.119 -177.163 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 62' ' ' MET . . . . . 0.517 ' HG2' ' HA ' ' A' ' 56' ' ' SER . 68.4 mtm -114.06 142.3 46.36 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.073 177.949 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 63' ' ' ARG . . . . . 0.488 ' HG3' HG23 ' A' ' 57' ' ' VAL . 26.8 mtm180 -101.83 161.89 13.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.812 0.339 . . . . 0.0 110.562 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.42 112.28 4.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.265 176.413 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.83 95.66 1.39 Allowed Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -65.79 -15.75 63.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.002 0.43 . . . . 0.0 111.134 -175.567 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.0 -23.02 66.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.142 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 68' ' ' GLN . . . . . 0.614 HE22 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -58.5 -31.82 68.23 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.876 -178.038 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 69' ' ' LEU . . . . . 0.542 HD13 ' HG3' ' A' ' 68' ' ' GLN . 6.3 mp -67.27 -33.57 75.58 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.937 0.398 . . . . 0.0 110.572 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 70' ' ' GLN . . . . . 0.585 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 16.3 mm100 -67.55 -31.05 70.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.386 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 63.6 mt -76.74 -40.68 32.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 176.383 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 72' ' ' LEU . . . . . 0.614 HD11 HE22 ' A' ' 68' ' ' GLN . 29.0 mt -63.48 -30.97 72.01 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -176.837 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 73' ' ' LEU . . . . . 0.585 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.5 pp -58.64 -22.52 56.83 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 111.806 0.298 . . . . 0.0 111.806 -176.778 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -58.36 -39.13 78.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.766 0.317 . . . . 0.0 111.123 174.966 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 75' ' ' GLN . . . . . 0.533 ' HG3' HG23 ' A' ' 30' ' ' VAL . 14.8 mm100 -121.21 95.8 4.84 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 178.674 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -82.58 86.64 6.77 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -173.922 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 77' ' ' ILE . . . . . 0.471 ' HB ' ' CB ' ' A' ' 80' ' ' ARG . 1.1 pp -148.99 89.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.388 0.613 . . . . 0.0 111.181 177.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 78' ' ' ASN . . . . . 0.535 ' HA ' HD12 ' A' ' 83' ' ' ILE . 52.8 m-80 -72.6 -35.16 67.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.204 -175.85 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.69 -28.97 62.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.995 0.426 . . . . 0.0 110.215 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 80' ' ' ARG . . . . . 0.506 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 11.5 tpt180 -70.22 -52.91 19.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.779 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 81' ' ' LEU . . . . . 0.451 ' HB2' ' CD1' ' A' ' 83' ' ' ILE . 76.6 mt -83.74 -13.51 53.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.847 -178.397 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 82' ' ' ASN . . . . . 0.516 ' HB2' ' HG2' ' A' ' 16' ' ' LYS . 0.9 OUTLIER 65.45 48.02 2.15 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 -178.781 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 83' ' ' ILE . . . . . 0.54 ' HA ' ' CD2' ' A' ' 15' ' ' LEU . 4.0 mp -65.08 127.95 26.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.694 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 84' ' ' GLY . . . . . 0.56 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -62.88 145.91 50.12 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.871 -177.898 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 85' ' ' GLU . . . . . 0.506 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 44.0 mt-10 -62.13 -45.24 90.96 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 86' ' ' PRO . . . . . 0.506 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 52.6 Cg_exo -56.39 -20.9 34.62 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.207 1.938 . . . . 0.0 112.612 173.741 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 87' ' ' LEU . . . . . 0.56 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 2.7 mm? -76.04 -29.76 58.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.941 0.4 . . . . 0.0 110.079 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.7 mp -73.17 -43.23 61.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.686 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 89' ' ' VAL . . . . . 0.466 HG22 ' HA ' ' A' ' 86' ' ' PRO . 29.0 m -69.4 -31.98 51.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.734 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 90' ' ' TYR . . . . . 0.534 ' HB2' HD11 ' A' ' 8' ' ' ILE . 46.4 t80 -60.23 -28.06 67.71 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.003 0.43 . . . . 0.0 110.493 176.996 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 91' ' ' LEU . . . . . 0.433 HD11 HD21 ' A' ' 69' ' ' LEU . 62.9 tp -70.35 -30.73 67.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.682 178.423 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 92' ' ' ARG . . . . . 0.609 ' HE ' ' HA ' ' A' ' 92' ' ' ARG . 1.6 mmp_? -63.66 -55.49 23.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.144 0.497 . . . . 0.0 109.772 177.995 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 93' ' ' ARG . . . . . 0.738 HH11 HG13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -157.34 145.53 19.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.713 174.97 . . . . . . . . 3 3 . 1 . 020 nuclear orig full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -92.48 157.32 16.62 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.844 0.354 . . . . 0.0 111.001 -178.396 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -96.76 -52.06 4.05 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.346 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.1 mp -134.45 146.54 59.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.153 175.969 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.68 -27.6 12.54 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.482 2.121 . . . . 0.0 111.213 173.106 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -91.95 47.79 1.38 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.023 -176.513 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.8 mm -71.6 104.06 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 170.807 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.0 p -126.04 138.27 53.71 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.387 -167.951 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -121.48 125.64 47.33 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.633 174.505 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -146.09 150.05 35.21 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.706 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -106.49 112.78 25.93 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.198 0.523 . . . . 0.0 110.468 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -69.91 111.07 5.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.182 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear orig full ' A' A ' 105' ' ' LEU . . . . . 0.807 ' H ' HD21 ' A' ' 105' ' ' LEU . 1.6 pt? -81.7 13.2 3.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.804 -174.752 . . . . . . . . 2 2 . 1 . 020 nuclear orig full ' A' A ' 106' ' ' ARG . . . . . 0.609 ' HD3' ' HG ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.352 -0.832 . . . . 0.0 109.304 174.029 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 m . . . . . 0 C--O 1.234 0.244 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 . . . . . . . . . 0 0 . 1 . 001 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.54 HD13 ' HB ' ' A' ' 89' ' ' VAL . 39.4 mm -70.71 136.6 25.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.806 0.336 . . . . 0.0 110.242 -177.868 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.441 HG21 ' HG3' ' A' ' 86' ' ' PRO . 41.5 p -93.1 -179.99 5.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.729 -175.7 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -81.56 -170.6 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.863 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.9 m -51.52 -23.73 4.41 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.324 0.65 . . . . 0.0 112.307 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -52.39 -20.28 2.7 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 122.607 0.363 . . . . 0.0 111.732 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.552 HD11 ' HB2' ' A' ' 90' ' ' TYR . 17.0 tt -53.24 -33.89 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.1 175.762 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.2 t -65.78 -38.31 88.66 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.161 0.505 . . . . 0.0 110.744 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.45 ' HA ' ' OE1' ' A' ' 10' ' ' GLN . 11.9 mm-40 -74.08 -33.41 63.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.9 -177.318 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.69 -15.73 53.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.802 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.75 -15.77 61.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.996 0.427 . . . . 0.0 110.932 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -84.27 -19.8 33.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.477 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.87 -28.47 68.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.45 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 mp -62.04 128.73 37.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.166 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -132.41 147.96 52.4 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.882 0.372 . . . . 0.0 111.21 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.94 154.88 7.84 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.245 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -110.62 116.86 32.08 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.477 ' HB ' HG22 ' A' ' 30' ' ' VAL . 8.4 p -97.69 133.34 39.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-O 120.888 0.375 . . . . 0.0 110.474 -177.55 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.41 151.87 24.01 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.044 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -89.9 113.6 25.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.706 0.288 . . . . 0.0 110.322 -177.565 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -94.11 134.61 36.36 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.41 ' HD3' ' OD1' ' A' ' 40' ' ' ASP . 4.8 ptm180 -83.2 -4.98 58.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.341 -177.847 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -75.23 -46.64 32.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.926 0.393 . . . . 0.0 110.649 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.5 p -105.99 -12.47 15.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.63 47.54 48.63 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.584 178.541 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.543 ' HG3' HG23 ' A' ' 29' ' ' ILE . 5.7 ptp180 -149.65 161.92 41.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.128 0.489 . . . . 0.0 111.476 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -86.25 106.15 17.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.403 -178.665 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.543 HG23 ' HG3' ' A' ' 27' ' ' ARG . 2.7 pp -117.86 155.45 19.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.781 0.324 . . . . 0.0 111.617 -173.403 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.561 HG11 HD21 ' A' ' 81' ' ' LEU . 52.1 t -104.9 129.06 58.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.946 0.403 . . . . 0.0 111.479 -177.81 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 60.9 mmt-85 -126.85 169.5 13.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.687 175.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -114.18 0.52 14.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.175 0.512 . . . . 0.0 110.462 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.8 m -121.21 112.03 18.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.411 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.73 -23.08 63.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.289 0.566 . . . . 0.0 110.327 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -80.82 -0.43 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.861 -176.022 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 76.2 p -78.59 -23.22 46.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.797 0.332 . . . . 0.0 111.417 -174.393 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -107.05 130.48 54.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.22 -175.53 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.69 -109.68 2.93 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.03 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -95.43 -3.58 46.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.972 0.415 . . . . 0.0 110.774 -176.292 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.41 ' OD1' ' HD3' ' A' ' 23' ' ' ARG . 10.4 m-20 -80.07 -13.48 59.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.578 -178.128 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.1 t -134.59 131.63 54.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.231 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.55 126.74 30.46 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 175.771 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -66.0 -23.57 66.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.0 0.429 . . . . 0.0 111.084 -175.181 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -68.52 -22.6 64.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.896 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.7 m -89.83 -3.97 57.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.075 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.3 mt -94.44 116.47 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.126 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.403 ' O ' HG12 ' A' ' 19' ' ' VAL . 28.4 m -141.6 134.74 14.29 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.856 -176.049 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -59.09 123.85 14.38 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.432 2.088 . . . . 0.0 111.09 172.627 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.595 HG21 HD22 ' A' ' 81' ' ' LEU . 11.9 t -60.55 -18.15 50.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.504 -178.047 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.2 m -59.31 -40.35 85.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.99 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -107.11 -7.82 16.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.191 0.519 . . . . 0.0 110.448 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -65.83 -31.44 72.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.826 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.541 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 28.7 m -76.89 -11.37 13.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.746 -177.938 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -95.9 123.12 39.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.657 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.3 m -111.11 107.75 17.21 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.124 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' A' ' 62' ' ' MET . 0.6 OUTLIER -73.28 117.66 15.29 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.244 0.545 . . . . 0.0 110.932 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.566 HG11 ' HD3' ' A' ' 63' ' ' ARG . 29.3 m -99.84 -22.95 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.49 0.662 . . . . 0.0 110.178 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.589 ' HB2' ' HB ' ' A' ' 61' ' ' VAL . 3.9 mpt_? -122.63 -168.22 1.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 169.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -63.43 -62.84 1.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.745 0.307 . . . . 0.0 111.036 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.617 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 19.8 m-20 -106.5 7.53 30.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.521 -175.947 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.589 ' HB ' ' HB2' ' A' ' 58' ' ' ARG . 18.5 t -105.44 108.72 25.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.748 0.308 . . . . 0.0 110.526 -178.67 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.491 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 69.1 mtm -109.16 141.91 40.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.566 ' HD3' HG11 ' A' ' 57' ' ' VAL . 76.2 mtp180 -110.96 136.09 50.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.512 175.856 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.503 ' HB2' ' HB ' ' A' ' 99' ' ' ILE . 0.5 OUTLIER -76.76 113.99 15.02 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.785 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.76 99.5 2.49 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.508 ' HA ' HD13 ' A' ' 69' ' ' LEU . 26.4 ptt180 -68.78 -15.3 63.47 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.39 -0.476 . . . . 0.0 111.905 -175.235 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -63.42 -23.11 67.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.664 0.269 . . . . 0.0 110.885 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.541 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 16.1 mm-40 -60.35 -31.11 70.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.074 0.464 . . . . 0.0 110.305 177.433 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 66' ' ' ARG . 9.9 mp -62.31 -27.64 69.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.057 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.46 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 74.5 mt-30 -66.38 -29.19 69.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.928 0.394 . . . . 0.0 110.641 178.468 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 63.8 mt -69.75 -32.89 53.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.415 0.626 . . . . 0.0 109.541 176.235 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 44.8 mt -75.22 -31.37 60.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.532 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.46 ' HB3' ' O ' ' A' ' 70' ' ' GLN . 56.9 tp -60.73 -32.38 71.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.395 175.404 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 31.4 mm-40 -60.66 -35.68 76.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.318 175.285 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -77.46 -34.28 54.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.486 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 63.6 t30 68.33 15.97 9.27 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.32 0.581 . . . . 0.0 111.504 172.365 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.42 ' O ' HD12 ' A' ' 77' ' ' ILE . 1.3 pp -111.05 86.92 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.854 0.835 . . . . 0.0 111.423 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.589 ' HA ' HD13 ' A' ' 83' ' ' ILE . 18.8 m120 -71.76 -38.96 70.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.977 -173.78 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -79.72 -29.63 40.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.017 0.437 . . . . 0.0 110.636 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.408 ' HB3' HD13 ' A' ' 77' ' ' ILE . 65.5 ttt180 -66.82 -47.62 71.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.334 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.595 HD22 HG21 ' A' ' 49' ' ' THR . 51.4 mt -77.76 -20.16 53.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.102 177.041 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 62.5 t30 64.82 62.47 0.75 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.478 0.656 . . . . 0.0 110.491 -176.82 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.589 HD13 ' HA ' ' A' ' 78' ' ' ASN . 3.9 mp -80.13 118.49 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.644 175.367 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -62.33 155.82 39.31 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.724 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.426 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 45.0 mt-10 -63.52 -42.94 76.69 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 111.714 0.265 . . . . 0.0 111.714 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.441 ' HG3' HG21 ' A' ' 4' ' ' THR . 76.2 Cg_exo -52.74 -28.21 37.12 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 122.089 1.859 . . . . 0.0 112.255 170.733 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.526 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 0.9 OUTLIER -77.35 -37.9 51.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.118 179.149 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.56 -41.75 99.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.728 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.54 ' HB ' HD13 ' A' ' 3' ' ' ILE . 30.6 m -74.86 -32.61 28.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.784 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.552 ' HB2' HD11 ' A' ' 8' ' ' ILE . 9.3 t80 -62.99 -25.78 68.54 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.222 0.534 . . . . 0.0 111.056 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 91' ' ' LEU . 8.0 tt -64.55 -25.34 67.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.569 176.819 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -100.58 -70.38 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.278 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.521 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 46.1 mtp180 -125.42 -175.1 3.23 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.798 ' HG3' ' HA ' ' A' ' 97' ' ' PRO . 1.0 OUTLIER -153.21 158.37 41.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.4 0.619 . . . . 0.0 112.533 -174.431 . . . . . . . . 3 3 . 1 . 001 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -89.94 -58.36 2.54 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 169.333 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -86.48 120.79 72.27 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 167.168 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.798 ' HA ' ' HG3' ' A' ' 94' ' ' GLN . 74.9 Cg_exo -48.21 -56.63 2.94 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.883 2.389 . . . . 0.0 111.563 -177.624 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -127.7 124.7 38.49 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.379 172.465 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.503 ' HB ' ' HB2' ' A' ' 64' ' ' LEU . 65.7 mt -71.93 110.46 5.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -111.12 129.84 55.81 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.012 -175.335 . . . . . . . . 2 2 . 1 . 001 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -124.49 120.81 33.07 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.21 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.617 ' HA ' ' O ' ' A' ' 60' ' ' ASP . 12.1 pt20 . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.191 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.455 -0.213 0 CA-C-O 120.698 0.285 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 002 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.415 HG21 ' CB ' ' A' ' 95' ' ' ASP . 33.3 mm -88.05 146.75 5.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.3 p -91.46 -178.25 5.05 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.168 0.509 . . . . 0.0 111.772 -172.641 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.428 ' O ' HG22 ' A' ' 8' ' ' ILE . 31.7 t -80.62 -169.55 2.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.541 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.7 m -50.18 -21.19 1.23 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.538 0.735 . . . . 0.0 111.692 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -51.36 -24.18 4.48 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.174 175.806 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.619 HD11 ' HB2' ' A' ' 90' ' ' TYR . 16.3 tt -59.96 -39.45 80.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-O 120.878 0.371 . . . . 0.0 110.81 177.298 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.8 t -74.83 -28.63 60.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.275 0.559 . . . . 0.0 110.035 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -73.95 -36.25 64.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.177 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.75 -15.63 63.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.876 -177.354 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.6 -16.55 64.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.008 0.432 . . . . 0.0 110.822 177.263 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -79.39 -18.5 52.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.165 0.507 . . . . 0.0 110.563 177.356 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.46 -21.59 61.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.25 -178.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.556 ' HB3' HG23 ' A' ' 49' ' ' THR . 9.3 mp -64.15 116.87 6.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.31 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -124.7 145.1 49.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.861 -176.865 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 129.86 158.88 9.59 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.865 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -111.49 117.64 33.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.058 0.456 . . . . 0.0 110.152 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.54 HG12 ' CD1' ' A' ' 28' ' ' TYR . 8.7 t -95.53 135.62 29.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.961 -177.133 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.53 148.8 20.77 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.469 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -85.73 125.05 32.92 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.463 ' OD1' ' HG2' ' A' ' 24' ' ' LYS . 41.3 t30 -107.12 113.75 27.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.182 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -58.1 -35.84 72.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.714 -175.673 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.463 ' HG2' ' OD1' ' A' ' 22' ' ' ASN . 21.0 ptmt -77.38 -16.36 58.9 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.929 -173.927 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 p -103.24 -26.43 12.98 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.981 0.419 . . . . 0.0 110.689 175.533 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.46 21.31 72.93 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.789 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -140.67 167.72 21.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.02 0.438 . . . . 0.0 110.976 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.54 ' CD1' HG12 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -83.89 125.36 31.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.61 172.139 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 pp -117.84 153.66 19.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.604 HG11 HD11 ' A' ' 81' ' ' LEU . 10.5 t -118.74 132.33 68.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.762 0.315 . . . . 0.0 110.368 -178.267 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -124.21 156.65 36.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.992 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -82.07 -34.17 29.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.155 0.502 . . . . 0.0 109.955 -177.139 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.0 t -107.9 124.01 49.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.301 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.97 -16.57 63.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.325 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -77.21 -7.42 55.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.815 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.3 m -87.35 -8.56 56.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.814 -175.614 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -80.76 128.87 34.14 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.36 -175.25 41.95 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.645 -177.144 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.7 ttt -69.87 -13.23 62.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.327 0.584 . . . . 0.0 110.522 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -80.67 -7.98 59.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.108 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.0 t -112.55 139.14 38.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.415 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.65 137.19 45.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.695 0.283 . . . . 0.0 110.963 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -62.57 -44.68 95.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.341 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.37 -8.19 48.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.708 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.1 t -78.7 -30.58 46.1 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.3 mt -66.14 108.27 0.95 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.08 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.5 m -135.2 124.64 16.44 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.347 -177.958 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -53.39 132.46 48.59 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.429 2.086 . . . . 0.0 111.141 174.65 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.556 HG23 ' HB3' ' A' ' 15' ' ' LEU . 8.8 t -63.82 -17.34 63.02 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -174.578 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.437 ' O ' HG22 ' A' ' 53' ' ' VAL . 9.5 p -71.49 -50.86 27.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.992 0.425 . . . . 0.0 110.217 175.106 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -72.71 -23.02 60.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.64 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -56.49 -37.59 70.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.675 -177.684 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 50' ' ' SER . 22.6 m -80.89 -18.66 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.714 0.292 . . . . 0.0 111.622 -175.859 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -79.27 120.22 23.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.99 0.424 . . . . 0.0 110.33 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.51 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . 2.6 m -110.34 104.04 12.77 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.921 -178.582 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.0 m -76.04 115.14 15.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.735 -177.593 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.0 m -108.06 2.26 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.144 0.497 . . . . 0.0 110.446 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.485 ' HG3' ' H ' ' A' ' 59' ' ' ASP . 13.9 tpp180 -160.75 -174.5 4.46 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.485 ' H ' ' HG3' ' A' ' 58' ' ' ARG . 2.5 m-20 -49.45 -62.87 1.31 Allowed 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.082 0.553 . . . . 0.0 111.426 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -114.73 -17.0 11.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.982 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.479 ' HB ' ' HB3' ' A' ' 58' ' ' ARG . 48.4 t -71.97 108.5 3.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.137 0.494 . . . . 0.0 110.775 -178.375 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 67.8 mtm -116.98 145.06 43.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.967 177.043 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.51 ' HG3' ' HB2' ' A' ' 55' ' ' SER . 5.4 ptp180 -113.47 144.49 42.73 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 175.678 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.571 ' HB2' ' HB ' ' A' ' 99' ' ' ILE . 0.6 OUTLIER -73.84 110.59 8.25 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 174.622 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.89 105.68 2.78 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.107 -177.107 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.433 ' H ' ' CD ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -69.77 -25.49 63.84 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 122.594 -0.356 . . . . 0.0 111.115 177.029 . . . . . . . . 3 3 . 1 . 002 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -66.41 -22.89 66.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.308 0.575 . . . . 0.0 110.37 177.414 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -71.09 -33.92 70.64 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.74 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.7 mt -64.57 -27.8 69.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.809 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.486 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 86.3 mm-40 -56.91 -34.87 68.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.785 178.313 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 55.7 mt -75.07 -35.99 36.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.316 0.579 . . . . 0.0 110.594 178.717 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.2 mt -75.19 -30.1 60.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.86 -175.878 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.5 pp -66.79 -25.28 66.39 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.105 -177.915 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -71.76 -3.22 20.75 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.609 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.401 ' C ' ' H ' ' A' ' 77' ' ' ILE . 69.4 mm-40 -84.11 -26.89 28.58 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 172.726 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 71.96 -34.15 0.29 Allowed 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.181 0.992 . . . . 0.0 112.285 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.463 ' HB ' ' HB3' ' A' ' 80' ' ' ARG . 6.7 pt -80.5 46.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 122.881 0.472 . . . . 0.0 111.734 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -51.66 -39.72 58.69 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -178.114 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.63 -44.64 81.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.086 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.463 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 29.9 ttt180 -68.52 -40.66 80.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.458 0.646 . . . . 0.0 110.527 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.604 HD11 HG11 ' A' ' 30' ' ' VAL . 20.7 tp -72.03 -8.41 54.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.573 179.121 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.2 t30 69.68 39.45 1.51 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.419 172.57 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.42 129.53 37.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.464 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.621 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -58.83 143.24 45.42 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.876 -177.396 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.554 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 39.8 mt-10 -60.22 -46.07 97.76 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.554 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 50.5 Cg_exo -57.28 -17.64 27.09 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.181 1.921 . . . . 0.0 112.64 174.475 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.621 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.5 mm? -76.54 -30.5 57.13 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.539 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.476 ' O ' ' HG3' ' A' ' 92' ' ' ARG . 9.0 mp -70.69 -45.03 65.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.367 176.858 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.538 HG22 ' HA ' ' A' ' 86' ' ' PRO . 23.1 m -66.44 -32.98 60.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.558 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.619 ' HB2' HD11 ' A' ' 8' ' ' ILE . 59.4 t80 -57.66 -40.62 79.74 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.02 0.438 . . . . 0.0 110.553 175.577 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 tt -69.61 -41.33 75.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.727 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 88' ' ' LEU . 80.0 mtp180 -67.91 -44.34 77.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.906 -178.95 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.409 ' HB3' HD11 ' A' ' 3' ' ' ILE . 43.1 ttt180 -149.6 113.59 5.13 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.157 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -88.43 96.8 10.74 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.451 0.643 . . . . 0.0 110.682 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.415 ' CB ' HG21 ' A' ' 3' ' ' ILE . 24.3 t70 -54.51 -49.16 70.86 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.349 174.547 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 97.3 mt -102.1 122.16 47.95 Favored Pre-proline 0 C--N 1.318 -0.791 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 168.63 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.5 -38.69 54.57 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.602 2.201 . . . . 0.0 111.916 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -150.15 120.01 7.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.631 176.511 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.571 ' HB ' ' HB2' ' A' ' 64' ' ' LEU . 73.4 mt -73.28 106.74 3.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 176.14 . . . . . . . . 2 2 . 1 . 002 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.9 p -101.61 133.6 46.04 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.241 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.91 130.98 40.35 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.731 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.429 173.906 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 120.687 0.28 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 003 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.404 HD13 ' HB ' ' A' ' 89' ' ' VAL . 39.2 mm -68.92 134.86 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.16 0.505 . . . . 0.0 110.932 -177.717 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 54.4 p -92.96 178.02 5.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.125 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 m -82.53 -169.64 2.55 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.488 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 m -50.68 -22.49 2.09 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.256 0.623 . . . . 0.0 112.22 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -52.39 -22.11 4.31 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 122.834 0.454 . . . . 0.0 111.514 177.01 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.6 tt -55.05 -41.06 57.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 122.514 0.326 . . . . 0.0 111.534 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.448 ' HB3' ' HH2' ' A' ' 54' ' ' TRP . 58.7 m -70.41 -35.01 73.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.247 0.546 . . . . 0.0 110.329 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -74.58 -32.99 62.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.765 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.81 -25.86 68.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.032 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.503 ' HB2' HD11 ' A' ' 87' ' ' LEU . . . -69.11 -18.75 64.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.179 0.514 . . . . 0.0 110.725 176.631 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -85.28 -5.11 59.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.467 0.651 . . . . 0.0 110.034 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.08 -2.86 56.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.61 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.461 ' HB3' HG23 ' A' ' 49' ' ' THR . 85.2 mt -68.39 141.04 55.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.674 177.046 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -125.75 145.13 50.33 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.56 -176.809 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.66 161.17 17.73 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.457 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 92.4 m-85 -111.66 157.2 20.73 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.6 t -120.67 134.39 64.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.427 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.13 152.6 24.66 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.957 -178.376 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -85.89 120.57 27.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.055 0.455 . . . . 0.0 110.509 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.564 HD22 ' HE1' ' A' ' 37' ' ' PHE . 28.1 t-20 -109.56 128.3 55.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.843 177.863 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.447 HH11 ' HD2' ' A' ' 23' ' ' ARG . 7.2 ptp180 -69.84 -24.24 63.42 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -174.306 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -78.27 -38.32 42.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.917 0.389 . . . . 0.0 110.281 -177.298 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.5 p -81.56 -26.37 35.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.13 0.491 . . . . 0.0 110.048 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 26' ' ' GLY . . . . . 0.441 ' O ' ' HD2' ' A' ' 27' ' ' ARG . . . 75.09 9.84 84.06 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.247 178.04 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.457 HH11 ' HD2' ' A' ' 27' ' ' ARG . 14.1 mmm180 -129.74 160.04 34.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.017 0.437 . . . . 0.0 110.768 -176.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -79.0 101.66 7.91 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 171.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.57 HG22 HE22 ' A' ' 75' ' ' GLN . 2.8 pp -116.66 159.14 16.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.099 0.476 . . . . 0.0 112.106 -167.584 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.486 HG13 ' HG3' ' A' ' 75' ' ' GLN . 34.3 m -83.27 148.55 5.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.947 -179.187 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -147.02 132.82 18.97 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -103.29 16.04 27.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.138 0.495 . . . . 0.0 110.337 -177.658 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.467 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 12.2 m -134.03 115.28 14.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.142 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.51 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 2.3 mp0 -66.33 -38.34 87.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.269 0.557 . . . . 0.0 110.06 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -71.62 -1.07 12.35 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.288 -177.786 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.467 ' HB2' ' HB2' ' A' ' 33' ' ' SER . 23.2 t -70.54 -23.86 62.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.308 179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.564 ' HE1' HD22 ' A' ' 22' ' ' ASN . 83.7 m-85 -134.3 100.43 4.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.641 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.32 -111.58 3.61 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.955 178.704 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.6 mtm -80.6 74.92 7.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.0 0.428 . . . . 0.0 110.284 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -172.3 -41.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.671 -176.416 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' A' ' 37' ' ' PHE . 58.5 t -128.63 136.65 59.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.573 177.23 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.33 132.65 46.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.073 0.463 . . . . 0.0 111.58 -177.85 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.69 -19.81 65.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.149 176.966 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -68.44 -25.92 65.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.632 175.299 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.4 t -80.06 -37.06 34.67 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.466 HD11 ' HB2' ' A' ' 37' ' ' PHE . 60.7 mt -66.0 115.72 4.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.82 177.642 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.0 m -123.18 127.89 25.48 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.97 -176.814 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 18' ' ' PHE . 19.2 Cg_endo -59.44 132.55 46.82 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.547 2.165 . . . . 0.0 111.381 175.476 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.461 HG23 ' HB3' ' A' ' 15' ' ' LEU . 8.8 t -65.11 -19.36 65.95 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -173.971 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.3 p -82.16 -11.62 58.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.765 0.317 . . . . 0.0 111.496 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -115.5 -24.37 8.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.186 0.517 . . . . 0.0 110.409 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -64.45 -18.52 64.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.388 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.6 m -83.7 -7.63 10.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.665 -175.422 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.448 ' HH2' ' HB3' ' A' ' 9' ' ' CYS . 97.8 m95 -105.61 122.88 46.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.965 0.412 . . . . 0.0 111.246 -178.219 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.5 m -109.77 125.28 52.53 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.981 174.254 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.6 m -76.96 115.57 16.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.964 0.411 . . . . 0.0 110.999 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.3 m -105.76 4.2 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.303 0.573 . . . . 0.0 110.352 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.598 ' HB3' ' HB ' ' A' ' 61' ' ' VAL . 9.2 tpt180 -169.28 174.61 6.01 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.446 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 4.7 m-20 -39.82 -63.8 0.55 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.2 0.6 . . . . 0.0 112.324 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.481 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 12.8 m-20 -123.33 23.42 9.05 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -178.798 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.598 ' HB ' ' HB3' ' A' ' 58' ' ' ARG . 21.4 t -106.47 109.53 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 177.58 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -109.37 135.93 49.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -104.55 145.2 30.64 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.65 119.18 20.83 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 173.226 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.693 ' O ' ' HG3' ' A' ' 68' ' ' GLN . . . -99.7 119.69 6.6 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.394 -0.907 . . . . 0.0 112.513 -177.828 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.41 ' HG3' ' H ' ' A' ' 66' ' ' ARG . 0.8 OUTLIER -66.19 -13.23 59.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.861 0.362 . . . . 0.0 111.428 177.81 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -58.61 -29.46 66.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.597 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.693 ' HG3' ' O ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -65.6 -31.25 72.18 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-O 120.746 0.308 . . . . 0.0 110.335 178.972 . . . . . . . . 3 3 . 1 . 003 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.544 ' HG ' ' OE1' ' A' ' 68' ' ' GLN . 31.8 mt -65.57 -41.04 93.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.42 177.746 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.545 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 83.9 mm-40 -63.94 -34.43 77.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.622 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.6 mt -75.5 -46.13 38.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.018 177.907 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 36.8 mt -66.63 -25.82 66.77 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -175.55 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.5 pp -66.24 -25.59 66.96 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.23 -39.1 93.67 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-O 121.041 0.448 . . . . 0.0 110.0 174.265 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.57 HE22 HG22 ' A' ' 29' ' ' ILE . 29.6 mm-40 -72.54 -49.66 31.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.578 176.833 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 74.39 -11.08 1.05 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.07 172.418 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.457 ' H ' HG13 ' A' ' 77' ' ' ILE . 1.8 pp -79.25 68.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.706 0.765 . . . . 0.0 112.169 -177.723 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.711 ' HA ' HD13 ' A' ' 83' ' ' ILE . 4.8 p-10 -63.83 -29.43 70.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.657 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -72.72 -34.33 67.02 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.698 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -84.16 -50.04 8.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.841 -174.861 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.505 ' HB3' HD12 ' A' ' 83' ' ' ILE . 14.9 tp -80.11 -11.29 59.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.679 -177.75 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.68 43.86 1.75 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.956 176.744 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.711 HD13 ' HA ' ' A' ' 78' ' ' ASN . 2.5 mp -58.88 122.23 8.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 175.738 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.513 ' HA3' HD23 ' A' ' 87' ' ' LEU . . . -65.82 157.37 48.44 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.536 -0.757 . . . . 0.0 113.268 -174.847 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.556 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 21.1 mt-10 -67.98 -45.26 41.84 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 115.366 -0.417 . . . . 0.0 111.438 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.556 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 50.4 Cg_exo -57.46 -26.2 70.21 Favored 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 121.859 1.706 . . . . 0.0 111.722 171.268 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.513 HD23 ' HA3' ' A' ' 84' ' ' GLY . 3.7 mm? -74.16 -31.91 62.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.172 0.51 . . . . 0.0 109.74 178.761 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.08 -39.88 75.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.522 177.0 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 86' ' ' PRO . 9.0 m -71.36 -31.31 43.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.716 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -54.37 -42.7 70.62 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.05 0.453 . . . . 0.0 110.012 175.787 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.52 HD12 ' HB3' ' A' ' 69' ' ' LEU . 9.0 tt -65.8 -33.15 75.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.585 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 67.2 mtp85 -64.47 -57.15 10.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.69 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -175.64 128.22 0.25 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.574 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -118.08 144.53 45.55 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.739 172.085 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -65.02 -43.13 93.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.104 0.478 . . . . 0.0 110.294 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.7 mt -104.03 128.8 26.43 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.831 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -64.04 -40.92 24.79 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.551 2.167 . . . . 0.0 111.551 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -114.1 101.32 9.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.517 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 49.2 mt -84.08 105.44 13.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 174.037 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.2 p -98.02 130.06 44.86 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.944 -174.855 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -122.98 120.87 34.64 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.483 -0.78 . . . . 0.0 108.972 175.087 . . . . . . . . 1 1 . 1 . 003 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.481 ' HA ' ' O ' ' A' ' 60' ' ' ASP . 20.0 pt20 . . . . . 0 C--N 1.32 -0.679 0 CA-C-O 121.513 0.673 . . . . 0.0 111.944 -175.465 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 004 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.4 mm -68.7 134.75 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.289 0.566 . . . . 0.0 111.139 -174.663 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.6 p -93.11 -175.48 3.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.497 -176.154 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -85.77 -170.4 3.09 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.241 177.775 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.7 m -50.65 -21.83 1.76 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.454 0.701 . . . . 0.0 112.153 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -51.19 -22.38 2.58 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 176.415 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.593 ' HA ' ' HB2' ' A' ' 86' ' ' PRO . 18.6 tt -59.51 -37.37 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 120.926 0.393 . . . . 0.0 110.84 177.67 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.6 t -74.72 -33.85 62.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.335 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -72.92 -43.27 62.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.965 -176.077 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.82 -31.95 73.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.832 0.348 . . . . 0.0 111.265 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.51 -14.75 63.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.38 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -88.84 -23.0 22.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.097 0.475 . . . . 0.0 110.537 177.979 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.59 4.26 40.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.442 -176.88 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.495 ' O ' ' HB2' ' A' ' 50' ' ' SER . 55.2 mt -71.64 129.37 38.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.101 179.072 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -131.75 141.16 49.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.129 0.49 . . . . 0.0 111.07 -177.529 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 137.25 151.52 5.96 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 -175.487 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -116.27 117.49 30.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 117.635 0.718 . . . . 0.0 111.048 -175.959 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.607 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 10.7 p -108.76 127.31 65.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.878 -178.151 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -138.83 169.86 24.23 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.76 -173.64 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -92.65 113.72 26.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.954 0.407 . . . . 0.0 110.671 -177.923 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.485 ' HA ' HG22 ' A' ' 41' ' ' VAL . 2.8 t-20 -92.19 100.8 13.34 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 176.397 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -75.63 -14.98 60.39 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.785 -171.001 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -62.15 -37.57 85.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.472 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.423 HG23 ' H ' ' A' ' 27' ' ' ARG . 6.6 t -100.67 -26.32 13.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.982 0.42 . . . . 0.0 110.426 177.225 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.56 24.21 34.08 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.847 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.423 ' H ' HG23 ' A' ' 25' ' ' THR . 41.2 mtp180 -127.66 162.35 26.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.063 0.459 . . . . 0.0 111.018 -177.972 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.477 ' CE2' HG22 ' A' ' 19' ' ' VAL . 11.4 t80 -100.76 111.75 24.03 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 pp -127.19 158.91 38.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.861 0.362 . . . . 0.0 111.675 -170.528 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.607 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 11.2 p -105.28 143.47 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.379 0.609 . . . . 0.0 111.645 -174.55 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.541 ' HE ' ' HA ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -132.4 161.42 33.68 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 174.268 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -79.33 -40.44 30.29 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.223 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.8 p -109.22 138.77 45.07 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.539 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -70.45 -37.96 74.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.171 0.51 . . . . 0.0 111.349 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -85.48 17.7 3.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.153 -173.208 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.493 ' OG ' ' HG2' ' A' ' 31' ' ' ARG . 54.4 p -98.06 -11.25 23.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.151 0.501 . . . . 0.0 109.817 174.259 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.502 ' HB3' ' HB ' ' A' ' 41' ' ' VAL . 56.6 m-85 -71.68 145.13 49.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.818 175.513 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.0 -168.02 36.15 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.019 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -68.44 -3.79 12.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.642 0.258 . . . . 0.0 111.627 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -76.25 -45.76 31.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.058 0.456 . . . . 0.0 110.035 176.618 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.502 ' HB ' ' HB3' ' A' ' 37' ' ' PHE . 57.9 t -82.38 129.99 36.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.016 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.32 143.59 35.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.742 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -59.12 -37.41 77.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.389 0.614 . . . . 0.0 110.505 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -68.3 -21.55 64.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.813 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.456 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 14.9 m -92.26 1.97 56.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.24 -177.86 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.4 mt -96.35 123.76 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.753 0.311 . . . . 0.0 110.223 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 56.9 m -143.04 130.97 11.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.533 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -59.14 140.38 94.74 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.349 2.033 . . . . 0.0 111.171 174.098 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.0 t -61.25 -25.56 67.16 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -174.061 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.495 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 33.1 t -69.65 -44.73 69.97 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.686 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -79.0 -6.79 57.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.213 0.53 . . . . 0.0 110.174 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -81.19 -29.03 34.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.253 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 50' ' ' SER . 23.7 m -89.89 -25.35 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 110.554 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -92.2 114.57 27.15 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.1 0.476 . . . . 0.0 109.819 174.356 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 t -90.67 109.59 20.77 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.429 ' HA ' ' HG2' ' A' ' 62' ' ' MET . 7.2 m -76.69 113.68 14.6 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.7 m -101.31 -13.4 8.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.44 0.638 . . . . 0.0 109.668 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.552 ' HB3' ' HB ' ' A' ' 61' ' ' VAL . 8.0 tpt180 -153.3 167.44 29.35 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.4 -45.48 80.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.875 0.369 . . . . 0.0 111.367 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.654 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 15.2 p-10 -105.02 -7.36 19.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.791 -176.191 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' A' ' 58' ' ' ARG . 42.8 t -116.34 117.51 55.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.221 0.534 . . . . 0.0 111.487 -176.436 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.429 ' HG2' ' HA ' ' A' ' 56' ' ' SER . 52.5 mtt -126.17 162.74 24.69 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 175.333 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.481 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 8.8 ptm85 -137.51 152.88 49.97 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.856 177.399 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 64' ' ' LEU . 1.0 OUTLIER -87.61 128.02 35.27 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.462 ' O ' ' HG2' ' A' ' 68' ' ' GLN . . . -113.94 129.09 8.58 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.755 177.239 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.491 ' HB3' ' CE2' ' A' ' 90' ' ' TYR . 9.7 ptp180 -71.73 -31.15 66.39 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 122.148 -0.619 . . . . 0.0 111.801 179.024 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.494 ' HA ' ' CG ' ' A' ' 70' ' ' GLN . 43.1 mt-10 -63.31 -22.75 67.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.363 0.601 . . . . 0.0 110.84 -177.296 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 65' ' ' GLY . 29.8 mm-40 -63.66 -42.39 98.08 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.135 177.172 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.662 HD23 HD12 ' A' ' 72' ' ' LEU . 93.3 mt -73.36 -28.58 62.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.661 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.563 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 12.9 mm100 -62.33 -28.23 69.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.076 0.465 . . . . 0.0 110.289 177.685 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 64.8 mt -75.46 -38.22 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.18 0.514 . . . . 0.0 110.553 175.252 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.662 HD12 HD23 ' A' ' 69' ' ' LEU . 93.5 mt -72.31 -25.44 61.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.044 -174.591 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.4 pp -64.8 -22.66 67.03 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.114 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -53.56 -37.57 63.03 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.897 0.38 . . . . 0.0 111.029 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.591 ' HB3' HG13 ' A' ' 77' ' ' ILE . 26.5 mp0 -83.05 -33.04 26.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 70.8 2.23 4.08 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.611 0.764 . . . . 0.0 112.494 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.591 HG13 ' HB3' ' A' ' 75' ' ' GLN . 1.8 pp -90.73 60.41 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.497 0.665 . . . . 0.0 111.615 -178.122 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -60.19 -27.83 67.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.759 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -67.46 -36.53 81.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.426 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -77.97 -43.0 31.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.01 -178.27 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.525 ' HB3' HD13 ' A' ' 83' ' ' ILE . 89.5 mt -68.51 -20.84 64.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.989 177.351 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.417 HD22 ' HA ' ' A' ' 82' ' ' ASN . 7.8 m120 69.58 23.82 5.78 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.387 -178.711 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.525 HD13 ' HB3' ' A' ' 81' ' ' LEU . 1.4 mp -59.22 126.12 16.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.705 175.107 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.557 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -83.03 177.19 53.24 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.724 -0.671 . . . . 0.0 113.885 -171.466 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.561 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 40.8 mt-10 -63.02 -48.07 85.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.502 -0.349 . . . . 0.0 111.635 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.598 ' HA ' HG22 ' A' ' 89' ' ' VAL . 11.8 Cg_endo -56.84 -22.16 44.06 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 122.119 1.879 . . . . 0.0 111.755 173.971 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.557 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.0 mm? -79.08 -34.67 43.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.067 179.017 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.6 mp -70.15 -43.3 71.17 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.556 175.326 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.598 HG22 ' HA ' ' A' ' 86' ' ' PRO . 10.5 m -67.95 -31.85 53.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.612 -177.963 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.538 ' HB2' HD11 ' A' ' 8' ' ' ILE . 75.8 t80 -59.41 -37.13 77.22 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.451 176.622 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.527 HD21 ' HB2' ' A' ' 69' ' ' LEU . 89.0 mt -67.31 -33.85 76.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.383 177.18 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 89' ' ' VAL . 19.4 mmm180 -63.94 -58.58 6.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.854 175.83 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -161.68 173.98 13.93 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -140.85 133.25 28.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.269 0.557 . . . . 0.0 110.901 175.24 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -82.05 -42.67 18.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.462 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -83.95 119.1 72.96 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.613 177.504 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.88 -53.12 1.38 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 111.616 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -106.6 100.89 10.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.811 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.427 HD12 ' CE1' ' A' ' 90' ' ' TYR . 51.3 mt -99.56 105.14 17.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 172.751 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 63' ' ' ARG . 20.6 p -125.1 161.3 27.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.733 -176.778 . . . . . . . . 2 2 . 1 . 004 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -126.95 119.62 27.16 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.646 176.417 . . . . . . . . 1 1 . 1 . 004 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.654 ' HA ' ' O ' ' A' ' 60' ' ' ASP . 13.5 pt20 . . . . . 0 C--N 1.319 -0.748 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.726 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 005 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.423 HD13 ' HB ' ' A' ' 89' ' ' VAL . 43.5 mm -68.65 134.85 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.5 p -91.2 173.21 8.05 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.735 -176.086 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 t -74.73 -171.89 1.41 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.119 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.4 m -54.36 -22.12 11.38 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.101 0.56 . . . . 0.0 111.926 -177.708 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -52.18 -19.82 2.21 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.96 0.504 . . . . 0.0 111.571 176.931 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.539 HD11 ' HB2' ' A' ' 90' ' ' TYR . 15.2 tt -52.71 -34.52 19.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.66 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.9 p -74.65 -29.24 61.19 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.841 0.353 . . . . 0.0 110.943 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -69.63 -34.67 74.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.162 0.506 . . . . 0.0 110.63 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.34 -15.7 62.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.435 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.556 ' HB1' HG21 ' A' ' 53' ' ' VAL . . . -71.34 -17.76 62.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.961 0.41 . . . . 0.0 111.274 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 13' ' ' ASP . . . . . 0.404 ' HA ' ' OG ' ' A' ' 50' ' ' SER . 86.2 m-20 -83.28 -5.44 59.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.91 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.1 -3.13 58.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.988 0.423 . . . . 0.0 111.052 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.548 ' O ' ' HB2' ' A' ' 50' ' ' SER . 9.7 mp -82.83 122.65 28.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.094 178.631 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -120.51 138.46 53.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.042 0.449 . . . . 0.0 110.663 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 141.98 166.03 10.72 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.384 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.492 ' HB3' ' CG2' ' A' ' 46' ' ' ILE . 85.4 m-85 -122.41 117.58 26.35 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.046 0.451 . . . . 0.0 110.279 -177.801 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.479 HG23 ' HB ' ' A' ' 49' ' ' THR . 43.5 t -95.81 130.92 43.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.755 -178.832 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.21 158.84 23.8 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.369 -0.92 . . . . 0.0 111.959 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -94.27 112.56 24.36 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.756 0.313 . . . . 0.0 110.206 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.552 ' HB2' HG12 ' A' ' 29' ' ' ILE . 26.8 t-20 -83.51 104.05 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 176.381 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -69.22 -29.29 67.21 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.827 -173.942 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.418 ' HE3' ' HB2' ' A' ' 24' ' ' LYS . 37.5 ttmt -62.52 -51.46 67.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.655 0.264 . . . . 0.0 110.856 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.0 p -79.29 -23.51 43.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.92 0.391 . . . . 0.0 110.776 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.36 29.78 35.69 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.597 176.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.37 166.29 33.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.008 0.432 . . . . 0.0 111.593 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -75.57 137.46 40.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.807 -178.184 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.552 HG12 ' HB2' ' A' ' 22' ' ' ASN . 2.5 pp -126.93 153.75 36.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.461 177.444 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.2 t -105.92 120.42 56.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.96 0.41 . . . . 0.0 110.578 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.516 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 3.8 mmp_? -109.99 132.08 54.48 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 175.745 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.517 ' CZ ' ' HG2' ' A' ' 80' ' ' ARG . 98.9 m-85 -87.19 -13.79 42.97 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.427 0.632 . . . . 0.0 109.938 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.419 ' HB2' ' OG ' ' A' ' 36' ' ' SER . 9.8 m -129.96 129.0 43.22 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.579 172.016 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.98 -12.9 61.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.979 0.419 . . . . 0.0 110.653 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -86.79 -4.23 59.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.736 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.419 ' OG ' ' HB2' ' A' ' 33' ' ' SER . 15.6 m -90.26 26.92 1.78 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.013 0.435 . . . . 0.0 111.023 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 11.3 p90 -91.49 -169.65 2.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.829 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.37 -161.31 9.99 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.185 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.9 ptp -76.51 -18.32 58.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.086 0.469 . . . . 0.0 110.094 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -84.32 -58.77 2.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.862 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.8 t -76.11 102.91 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.179 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.17 142.22 52.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.19 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -74.47 -6.83 50.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.091 0.472 . . . . 0.0 110.578 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -86.58 -12.52 48.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.505 0.669 . . . . 0.0 109.635 174.864 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.3 m -101.02 16.67 24.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.251 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.492 ' CG2' ' HB3' ' A' ' 18' ' ' PHE . 68.3 mt -112.25 135.43 51.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.422 -177.917 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 47' ' ' THR . . . . . 0.417 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 90.6 m -140.71 130.06 13.07 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.615 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 8.8 Cg_endo -51.24 132.98 40.93 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.921 2.414 . . . . 0.0 111.73 176.106 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.479 ' HB ' HG23 ' A' ' 19' ' ' VAL . 11.7 t -64.25 -27.86 69.34 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -172.324 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.638 ' O ' HG22 ' A' ' 53' ' ' VAL . 23.0 t -67.92 -45.09 75.34 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.383 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -76.81 -14.93 59.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.358 0.599 . . . . 0.0 110.121 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -73.15 -30.19 63.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.465 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 50' ' ' SER . 4.2 m -81.96 -18.87 11.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.105 0.478 . . . . 0.0 110.252 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -87.86 127.37 35.34 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.218 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.3 m -107.73 102.21 11.45 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.886 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.523 ' HA ' ' HG2' ' A' ' 62' ' ' MET . 16.4 m -74.32 114.51 12.76 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 177.593 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.5 m -124.8 0.49 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.873 0.368 . . . . 0.0 111.458 -175.374 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.419 ' HB3' ' H ' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -157.41 162.85 39.01 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -178.467 . . . . . . . . 3 3 . 1 . 005 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.83 -46.88 84.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.435 0.636 . . . . 0.0 110.73 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' OD2' ' HB2' ' A' ' 102' ' ' GLN . 24.0 t70 -104.72 -31.65 9.25 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.082 -175.586 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.419 ' H ' ' HB3' ' A' ' 58' ' ' ARG . 20.0 t -102.85 126.33 57.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.889 -171.277 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.523 ' HG2' ' HA ' ' A' ' 56' ' ' SER . 69.4 mtm -124.81 153.54 42.35 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 172.248 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.543 ' HB3' HG22 ' A' ' 100' ' ' THR . 51.2 ptt85 -127.7 166.94 17.18 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.04 -178.688 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.6 128.51 34.78 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 176.983 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.473 ' O ' ' HG3' ' A' ' 68' ' ' GLN . . . -93.45 132.56 11.28 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.603 -178.24 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.502 ' HD2' ' CE2' ' A' ' 90' ' ' TYR . 9.7 mmm180 -70.31 -20.22 63.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.798 0.332 . . . . 0.0 110.531 175.145 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -53.62 -45.91 70.27 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.375 -174.544 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.587 ' NE2' ' HG ' ' A' ' 69' ' ' LEU . 2.8 pp0? -51.93 -33.94 39.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.998 -0.547 . . . . 0.0 112.467 -179.104 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.587 ' HG ' ' NE2' ' A' ' 68' ' ' GLN . 82.9 mt -59.44 -36.37 75.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.789 0.328 . . . . 0.0 111.3 -177.521 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.485 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 10.0 mm-40 -65.01 -42.46 94.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.686 -173.615 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.0 mt -76.27 -36.65 30.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.004 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 61.5 mt -72.31 -31.54 65.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.072 -176.531 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.5 pp -63.25 -24.35 67.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.608 0.242 . . . . 0.0 111.466 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.74 -22.6 64.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.938 0.399 . . . . 0.0 110.869 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -118.34 97.83 5.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.287 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -89.04 9.46 25.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.505 -175.523 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.477 ' H ' HG13 ' A' ' 77' ' ' ILE . 1.4 pp -75.55 68.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.774 0.797 . . . . 0.0 110.838 176.218 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -59.77 -39.4 84.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.653 -174.796 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -59.09 -29.03 67.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.054 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.517 ' HG2' ' CZ ' ' A' ' 32' ' ' PHE . 38.4 ttm180 -93.54 -47.81 6.66 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.207 0.527 . . . . 0.0 110.824 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.445 ' HB2' HD12 ' A' ' 77' ' ' ILE . 13.0 tp -70.51 -21.06 62.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.161 -172.647 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.8 m120 69.08 31.04 4.22 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 173.578 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 mp -72.91 130.3 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.491 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -68.73 158.32 52.85 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.922 -177.079 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.568 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 5.5 mp0 -61.21 -48.22 92.31 Favored Pre-proline 0 CA--C 1.538 0.507 0 N-CA-C 111.679 0.252 . . . . 0.0 111.679 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.568 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 32.2 Cg_exo -60.6 -19.63 61.0 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 122.001 1.801 . . . . 0.0 112.193 175.405 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.7 mm? -76.38 -23.51 54.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.125 0.488 . . . . 0.0 109.936 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.5 mt -73.68 -40.87 63.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.523 177.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.423 ' HB ' HD13 ' A' ' 3' ' ' ILE . 26.8 m -71.79 -29.7 34.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.707 178.954 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.539 ' HB2' HD11 ' A' ' 8' ' ' ILE . 44.4 t80 -51.58 -28.34 13.71 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.281 176.309 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.502 HD23 HD13 ' A' ' 69' ' ' LEU . 59.3 mt -63.34 -32.85 74.39 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.055 0.455 . . . . 0.0 111.109 175.77 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.0 mtp180 -88.18 -44.6 10.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.567 -177.126 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -167.1 160.88 14.32 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 176.856 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.501 ' HB2' HD11 ' A' ' 99' ' ' ILE . 14.9 pt20 -112.06 156.55 22.02 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.406 176.4 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.57 -71.9 0.14 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.182 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.2 mt -81.4 148.93 64.14 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.899 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.29 -39.31 91.67 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.382 2.055 . . . . 0.0 110.951 174.33 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -129.42 102.6 6.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.08 171.84 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.501 HD11 ' HB2' ' A' ' 94' ' ' GLN . 52.9 mt -81.66 110.58 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.991 0.424 . . . . 0.0 110.315 -178.229 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.543 HG22 ' HB3' ' A' ' 63' ' ' ARG . 24.2 p -122.58 153.2 39.59 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.878 -176.709 . . . . . . . . 2 2 . 1 . 005 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.4 120.28 21.8 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.32 171.387 . . . . . . . . 1 1 . 1 . 005 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.407 ' HB2' ' OD2' ' A' ' 60' ' ' ASP . 4.8 pt20 . . . . . 0 C--N 1.317 -0.81 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.236 -174.515 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.4 m . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 120.682 0.277 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 006 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.486 HD11 ' O ' ' A' ' 93' ' ' ARG . 47.1 mm -87.21 156.11 3.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 177.697 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.2 p -90.9 -175.85 4.48 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.016 0.436 . . . . 0.0 111.757 -174.042 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.553 ' O ' HG22 ' A' ' 8' ' ' ILE . 12.1 t -80.24 -170.17 2.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.29 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.3 m -50.83 -22.56 2.23 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.623 0.769 . . . . 0.0 112.152 -176.858 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.1 -26.76 11.93 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.758 176.239 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.711 HD11 ' HB2' ' A' ' 90' ' ' TYR . 10.6 tt -63.79 -42.51 96.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 120.9 0.381 . . . . 0.0 110.364 177.42 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.8 m -74.33 -33.38 63.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.14 0.495 . . . . 0.0 109.989 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -66.75 -44.36 81.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.665 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.08 -34.29 77.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.166 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.429 ' HB2' HD11 ' A' ' 87' ' ' LEU . . . -65.58 -31.03 71.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.16 0.505 . . . . 0.0 110.859 178.278 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -87.61 -15.14 38.16 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.316 0.579 . . . . 0.0 110.498 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.55 7.31 46.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.144 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.491 HD22 ' HA ' ' A' ' 83' ' ' ILE . 84.6 mt -65.54 124.85 23.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.229 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 16' ' ' LYS . 16.5 ptpt -103.18 145.93 29.18 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.451 -177.769 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.64 168.55 15.43 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.14 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -118.27 165.17 14.15 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.885 0.374 . . . . 0.0 110.38 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 12.8 p -146.64 144.16 20.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 109.2 -0.666 . . . . 0.0 109.2 178.17 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.8 172.35 29.74 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.197 -177.133 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -104.84 118.56 36.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.7 0.286 . . . . 0.0 110.527 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -84.28 97.88 9.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 175.348 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.46 ' HD3' ' OD1' ' A' ' 40' ' ' ASP . 5.1 ptm180 -64.57 -17.62 64.12 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.997 -1.002 . . . . 0.0 112.495 -173.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -90.11 -28.77 18.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.614 0.245 . . . . 0.0 111.424 -175.857 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.3 p -96.26 -25.9 15.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.992 0.425 . . . . 0.0 110.677 176.17 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.2 24.48 40.36 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.526 176.965 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.1 ptm85 -131.64 155.45 47.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.071 0.462 . . . . 0.0 111.115 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -99.73 115.38 29.38 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.421 ' O ' HD12 ' A' ' 29' ' ' ILE . 2.7 pp -125.48 150.95 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.144 0.497 . . . . 0.0 112.331 -170.364 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 29.0 m -86.88 150.64 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.732 178.584 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.597 ' HE ' ' HA ' ' A' ' 31' ' ' ARG . 1.8 tpm_? -138.52 131.55 29.79 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.694 -178.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -87.29 -37.22 17.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.04 0.448 . . . . 0.0 110.157 -178.152 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.7 m -95.95 109.98 22.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.405 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -61.54 -23.51 66.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 -177.958 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -75.23 -9.83 58.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.036 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.492 ' HB2' ' HD3' ' A' ' 31' ' ' ARG . 20.6 m -78.49 58.49 2.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.189 0.519 . . . . 0.0 111.667 -176.255 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -143.54 168.85 18.89 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 176.121 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.95 -146.24 5.44 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.304 -0.951 . . . . 0.0 112.56 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.5 mtp -87.76 -21.48 25.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.217 0.532 . . . . 0.0 109.818 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.46 ' OD1' ' HD3' ' A' ' 23' ' ' ARG . 12.1 t70 -75.62 -41.56 54.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.134 178.387 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.6 t -84.75 128.25 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.352 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.57 145.68 38.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.022 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.9 -35.46 80.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.446 0.641 . . . . 0.0 109.705 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.8 -14.87 63.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.638 -176.154 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.7 t -76.26 -32.94 59.12 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.3 mt -73.47 107.8 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.259 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.0 m -122.38 131.15 24.43 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.348 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -55.33 133.4 57.86 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.117 1.878 . . . . 0.0 110.778 172.004 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.47 ' O ' HG13 ' A' ' 53' ' ' VAL . 7.1 t -58.72 -31.99 68.78 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -176.447 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 p -73.68 -25.0 60.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.966 0.412 . . . . 0.0 111.216 178.244 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -87.58 -21.15 25.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.214 0.53 . . . . 0.0 110.016 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -77.02 -29.28 55.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.214 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 49' ' ' THR . 13.0 m -79.39 -15.4 13.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.829 0.347 . . . . 0.0 111.285 -176.213 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -102.3 116.94 33.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.173 0.511 . . . . 0.0 110.391 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.4 t -88.11 129.14 35.39 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.7 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.406 ' HA ' ' SD ' ' A' ' 62' ' ' MET . 21.2 m -85.55 121.51 28.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.278 -178.536 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.424 HG11 ' HD2' ' A' ' 63' ' ' ARG . 16.9 m -129.87 13.33 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -173.762 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.436 ' HG2' ' CG ' ' A' ' 59' ' ' ASP . 38.3 ttt180 -168.62 -78.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.667 0.27 . . . . 0.0 111.344 177.428 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.436 ' CG ' ' HG2' ' A' ' 58' ' ' ARG . 2.9 p30 -161.03 -66.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.972 0.415 . . . . 0.0 110.795 -176.732 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -105.91 -23.72 12.61 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.429 ' HA ' ' HB3' ' A' ' 102' ' ' GLN . 47.3 t -71.75 111.52 5.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.875 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.406 ' SD ' ' HA ' ' A' ' 56' ' ' SER . 25.9 mmt -114.57 161.45 18.04 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.455 177.818 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.424 ' HD2' HG11 ' A' ' 57' ' ' VAL . 10.7 ptp180 -141.08 142.67 34.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.656 0.265 . . . . 0.0 110.54 175.141 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.93 115.86 7.14 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -178.866 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.82 ' O ' ' HG3' ' A' ' 68' ' ' GLN . . . -86.21 110.89 3.53 Favored Glycine 0 C--O 1.218 -0.873 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.673 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -61.77 -15.13 38.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.12 0.46 . . . . 0.0 111.896 -176.143 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.47 -24.56 65.62 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.718 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.82 ' HG3' ' O ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -64.14 -31.22 72.33 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.271 178.26 . . . . . . . . 3 3 . 1 . 006 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.472 ' HG ' ' OE1' ' A' ' 68' ' ' GLN . 28.5 mt -61.97 -43.27 99.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.777 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.549 ' HA ' ' CD2' ' A' ' 73' ' ' LEU . 42.7 mt-30 -65.79 -33.18 75.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.343 -176.338 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 64.8 mt -75.39 -45.09 41.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.699 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 61.8 mt -68.64 -30.05 68.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.201 -176.336 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.549 ' CD2' ' HA ' ' A' ' 70' ' ' GLN . 4.5 pp -63.15 -24.54 67.94 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.741 0.305 . . . . 0.0 111.078 -178.929 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -64.06 -20.75 66.16 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -104.99 110.85 23.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.189 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -87.24 2.4 50.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -175.913 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.3 pp -99.39 74.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.588 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -56.14 -35.04 66.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.762 -174.245 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -65.11 -45.68 84.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.393 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -82.07 -23.08 36.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.437 0.636 . . . . 0.0 110.111 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 1.064 ' HG ' HD13 ' A' ' 83' ' ' ILE . 21.9 tp -74.72 -24.91 58.81 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.107 176.266 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 70.16 23.45 5.22 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.316 0.646 . . . . 0.0 111.55 177.757 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 1.064 HD13 ' HG ' ' A' ' 81' ' ' LEU . 1.4 mp -86.35 139.13 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 -178.763 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.578 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -71.94 157.55 53.07 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.648 -0.706 . . . . 0.0 113.087 -177.217 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.505 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 47.3 mt-10 -65.84 -47.04 65.86 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -178.853 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.505 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 44.9 Cg_exo -58.68 -21.32 55.21 Favored 'Trans proline' 0 C--N 1.359 1.115 0 C-N-CA 122.005 1.803 . . . . 0.0 112.103 176.323 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.2 mm? -68.07 -35.32 78.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.257 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.595 ' O ' ' HG3' ' A' ' 92' ' ' ARG . 8.7 mp -68.1 -33.7 75.02 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.906 175.263 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.76 -41.56 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.632 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.711 ' HB2' HD11 ' A' ' 8' ' ' ILE . 28.6 t80 -65.25 -32.43 74.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.27 0.557 . . . . 0.0 110.527 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.6 tt -69.93 -26.13 63.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.76 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.595 ' HG3' ' O ' ' A' ' 88' ' ' LEU . 48.9 mtt180 -69.02 -46.72 67.26 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.723 -178.61 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.486 ' O ' HD11 ' A' ' 3' ' ' ILE . 7.0 ptm180 -161.58 157.08 24.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.991 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -95.74 163.91 12.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.834 0.349 . . . . 0.0 110.428 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.4 ' HB2' HG13 ' A' ' 3' ' ' ILE . 9.9 t70 -144.71 -58.46 0.36 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.596 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 90.9 mt -80.52 120.93 80.71 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.31 174.51 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 96' ' ' LEU . 32.2 Cg_exo -58.44 -45.27 31.49 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.732 2.288 . . . . 0.0 112.326 -178.012 . . . . . . . . 2 2 . 1 . 006 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -137.28 109.71 7.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.292 176.897 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 56.0 mt -83.23 106.28 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.93 0.395 . . . . 0.0 109.944 175.877 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.0 p -109.82 143.28 39.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.27 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -127.93 120.17 27.1 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.518 177.75 . . . . . . . . 1 1 . 1 . 006 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.429 ' HB3' ' HA ' ' A' ' 61' ' ' VAL . 13.5 pt20 . . . . . 0 C--N 1.32 -0.683 0 CA-C-O 121.176 0.513 . . . . 0.0 110.766 -175.11 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 m . . . . . 0 N--CA 1.45 -0.461 0 CA-C-O 120.761 0.315 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 007 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 mm -71.67 140.31 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 174.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.478 ' OG1' ' HB ' ' A' ' 8' ' ' ILE . 27.8 p -90.25 175.59 7.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.036 0.446 . . . . 0.0 111.858 -170.356 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.451 ' O ' HG22 ' A' ' 8' ' ' ILE . 9.6 t -75.44 -169.18 0.95 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.512 -178.387 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.2 m -49.86 -23.65 2.02 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.628 0.771 . . . . 0.0 112.244 -176.42 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.419 ' HA ' ' OE1' ' A' ' 10' ' ' GLN . 4.0 m-20 -52.44 -26.99 14.21 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 122.771 0.428 . . . . 0.0 111.652 176.448 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.688 HG13 ' HB2' ' A' ' 86' ' ' PRO . 20.0 tt -61.69 -47.45 93.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.451 -178.472 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.4 ' N ' HG23 ' A' ' 8' ' ' ILE . 24.2 p -75.73 -26.49 57.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.999 0.428 . . . . 0.0 110.645 178.81 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 10' ' ' GLN . . . . . 0.419 ' OE1' ' HA ' ' A' ' 7' ' ' ASP . 97.0 mt-30 -68.36 -35.0 77.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.466 178.068 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.6 -18.74 62.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.319 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.533 ' HA ' HD13 ' A' ' 15' ' ' LEU . . . -67.97 -17.82 64.55 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.31 0.576 . . . . 0.0 110.526 178.069 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -74.61 -17.17 60.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.806 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.57 6.91 38.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.714 -176.364 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.533 HD13 ' HA ' ' A' ' 12' ' ' ALA . 11.0 mp -80.85 143.9 32.41 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 176.425 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -122.12 138.08 54.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.787 0.327 . . . . 0.0 110.759 -176.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.27 -178.83 18.39 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.814 176.802 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -126.15 160.31 30.54 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -178.346 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.591 HG12 ' CE2' ' A' ' 28' ' ' TYR . 3.7 t -133.69 128.03 53.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.65 172.24 28.87 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.855 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -90.7 130.83 36.66 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.997 0.398 . . . . 0.0 110.886 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.516 ' HB2' HG12 ' A' ' 29' ' ' ILE . 44.8 t-20 -110.28 103.38 12.04 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.339 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -71.75 -21.62 61.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.006 -175.475 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.417 ' O ' ' HD2' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -67.82 -42.37 81.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -177.155 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.49 HG23 ' HG2' ' A' ' 27' ' ' ARG . 9.8 t -94.56 -14.55 24.92 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.655 177.408 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.71 40.16 22.99 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 121.223 -0.513 . . . . 0.0 113.35 174.643 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.49 ' HG2' HG23 ' A' ' 25' ' ' THR . 9.7 ptp180 -154.29 169.12 24.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.995 0.398 . . . . 0.0 111.015 178.104 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.591 ' CE2' HG12 ' A' ' 19' ' ' VAL . 3.3 t80 -88.67 127.28 35.57 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 175.453 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.516 HG12 ' HB2' ' A' ' 22' ' ' ASN . 3.7 pt -128.59 165.33 28.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.208 0.528 . . . . 0.0 111.565 -172.437 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.551 HG21 HD11 ' A' ' 77' ' ' ILE . 28.7 m -96.71 150.4 4.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.83 171.662 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.61 ' HE ' ' HA ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -144.92 132.46 20.89 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.735 . . . . . . . . 3 3 . 1 . 007 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -69.37 -30.39 68.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.806 0.336 . . . . 0.0 111.301 -173.891 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.1 t -136.08 146.57 47.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.49 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -69.34 -27.69 65.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.995 0.426 . . . . 0.0 110.313 177.026 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -72.24 -15.45 61.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.188 -178.38 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.1 m -77.16 6.16 7.05 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -174.412 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -176.38 5.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.567 0.222 . . . . 0.0 111.114 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.72 -122.47 2.41 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 175.141 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -104.4 12.58 33.26 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 173.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.36 -68.84 0.68 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.817 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.4 p -102.84 139.64 23.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.819 0.342 . . . . 0.0 110.568 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.91 158.76 16.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.277 176.403 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.91 -31.63 68.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.301 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.98 -20.08 63.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.293 0.568 . . . . 0.0 110.914 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.8 t -95.0 12.75 27.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.275 0.559 . . . . 0.0 109.764 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 62.4 mt -119.32 138.26 50.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.017 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.2 m -135.83 129.35 18.21 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.608 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.99 132.64 48.54 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.519 2.146 . . . . 0.0 111.294 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.427 HG23 ' HB3' ' A' ' 15' ' ' LEU . 11.7 t -62.21 -25.51 67.84 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -171.692 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 m -65.66 -35.67 81.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.057 0.456 . . . . 0.0 110.81 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -103.13 -12.34 17.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.316 0.579 . . . . 0.0 110.275 -176.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -66.79 -27.58 67.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.319 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.534 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 33.6 m -76.81 -5.56 7.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.808 -176.998 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -101.45 116.68 33.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.445 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.2 t -111.5 140.5 46.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.188 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.3 m -75.03 115.56 14.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.056 -176.479 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.414 HG11 ' HD3' ' A' ' 63' ' ' ARG . 28.2 m -122.6 -3.48 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.899 0.38 . . . . 0.0 111.517 -178.672 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.571 HH21 HG21 ' A' ' 100' ' ' THR . 3.7 tpp180 -137.29 -163.19 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.135 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -56.51 -70.77 0.11 Allowed 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.264 0.352 . . . . 0.0 110.964 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -126.05 19.83 7.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.547 0.689 . . . . 0.0 109.831 172.24 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.654 ' HA ' ' HA ' ' A' ' 102' ' ' GLN . 14.7 t -100.38 127.82 53.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.928 178.767 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 65.8 mtt -109.46 160.41 16.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.692 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.45 ' HA ' ' O ' ' A' ' 99' ' ' ILE . 15.5 ptt180 -119.95 150.8 39.92 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.373 177.99 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.27 109.88 6.31 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 172.507 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -107.79 113.06 3.81 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.912 -177.209 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.614 ' HB3' ' CD2' ' A' ' 90' ' ' TYR . 10.4 ptm180 -68.2 -15.47 63.59 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.596 -0.356 . . . . 0.0 111.524 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -56.54 -28.9 61.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.329 0.585 . . . . 0.0 110.327 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.534 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 9.1 mm-40 -72.51 -42.51 64.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.365 178.084 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.67 ' HB3' HD21 ' A' ' 91' ' ' LEU . 92.6 mt -67.5 -28.67 68.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.963 -178.573 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.578 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 14.3 mm100 -60.31 -36.8 78.76 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.083 0.468 . . . . 0.0 109.759 178.157 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 56.1 mt -69.18 -35.08 66.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.054 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.635 HD12 HD23 ' A' ' 69' ' ' LEU . 64.2 mt -72.07 -38.88 69.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.957 -177.177 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.604 HD23 HD22 ' A' ' 91' ' ' LEU . 4.5 pp -70.47 -26.45 63.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.795 0.331 . . . . 0.0 110.168 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -66.79 -27.52 67.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.447 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.522 ' HG3' HG13 ' A' ' 30' ' ' VAL . 31.5 mm-40 -69.67 -32.07 70.49 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 176.058 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 69.85 13.14 8.02 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.701 174.211 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.551 HD11 HG21 ' A' ' 30' ' ' VAL . 2.0 pp -112.99 54.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.27 0.557 . . . . 0.0 111.53 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.553 ' HA ' HD13 ' A' ' 83' ' ' ILE . 59.5 m-80 -60.77 -27.44 67.98 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.649 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -73.01 -28.1 62.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.872 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -79.23 -54.83 5.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.257 0.551 . . . . 0.0 110.814 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.427 HD23 HD11 ' A' ' 83' ' ' ILE . 12.0 tp -79.84 -19.7 47.75 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.158 -173.898 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 67.12 63.81 0.45 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.755 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.553 HD13 ' HA ' ' A' ' 78' ' ' ASN . 3.0 mp -77.35 129.86 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 174.761 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.589 ' HA3' HD23 ' A' ' 87' ' ' LEU . . . -62.87 160.67 33.77 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.818 -0.628 . . . . 0.0 113.642 -174.423 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.464 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 37.8 mt-10 -64.23 -53.15 49.4 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 115.506 -0.347 . . . . 0.0 111.663 -177.05 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.688 ' HB2' HG13 ' A' ' 8' ' ' ILE . 25.8 Cg_endo -62.75 -18.53 64.77 Favored 'Trans proline' 0 C--N 1.357 1.013 0 C-N-CA 121.964 1.776 . . . . 0.0 112.104 177.884 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.589 HD23 ' HA3' ' A' ' 84' ' ' GLY . 3.9 mm? -69.9 -36.12 75.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.404 . . . . 0.0 109.973 178.196 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.475 ' HA ' HD12 ' A' ' 91' ' ' LEU . 9.3 mp -67.64 -31.32 71.24 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.033 0.444 . . . . 0.0 110.199 174.997 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 48.8 t -67.65 -38.37 80.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.743 175.341 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.614 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 6.1 t80 -68.68 -23.61 64.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.382 176.893 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.67 HD21 ' HB3' ' A' ' 69' ' ' LEU . 86.7 mt -71.22 -22.36 62.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.65 175.291 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.604 ' HE ' ' HA ' ' A' ' 92' ' ' ARG . 2.4 mmp_? -78.12 -62.39 1.69 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.528 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -146.54 174.84 11.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.773 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -128.06 139.46 52.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.189 172.455 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.8 -33.7 14.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.288 0.566 . . . . 0.0 110.185 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.52 HD12 HG12 ' A' ' 99' ' ' ILE . 95.5 mt -101.97 139.51 20.38 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.653 177.238 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.82 -20.93 71.04 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.681 2.254 . . . . 0.0 111.673 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -173.91 125.31 0.36 Allowed 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.908 177.393 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.52 HG12 HD12 ' A' ' 96' ' ' LEU . 56.3 mt -91.17 104.61 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.301 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.571 HG21 HH21 ' A' ' 58' ' ' ARG . 3.4 p -100.45 137.75 38.44 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -171.169 . . . . . . . . 2 2 . 1 . 007 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -143.05 127.42 17.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.696 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.654 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 27.3 pt20 . . . . . 0 C--N 1.321 -0.633 0 CA-C-O 120.843 0.354 . . . . 0.0 110.56 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.451 -0.42 0 CA-C-O 121.043 0.449 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 008 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.839 HG13 ' HB2' ' A' ' 95' ' ' ASP . 38.8 mm -97.72 152.16 4.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.856 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.2 p -92.12 -176.39 4.37 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.98 0.419 . . . . 0.0 111.322 -176.765 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 m -85.55 -169.58 2.71 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.872 -178.728 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m -50.51 -23.86 2.78 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -173.386 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -54.61 -19.99 7.14 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.461 0.304 . . . . 0.0 111.696 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.663 HD11 ' HB2' ' A' ' 90' ' ' TYR . 13.5 tt -52.87 -43.42 46.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.988 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.454 ' HB3' HG21 ' A' ' 99' ' ' ILE . 28.2 p -75.45 -29.27 59.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.025 0.441 . . . . 0.0 110.697 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -68.36 -34.71 76.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.514 -178.73 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.84 -28.66 68.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.984 178.38 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.728 ' HB2' HD11 ' A' ' 87' ' ' LEU . . . -70.71 -29.71 66.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.108 0.48 . . . . 0.0 110.626 179.003 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -76.66 -18.92 58.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.496 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.69 9.21 35.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.759 -176.57 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.1 mt -70.55 153.08 43.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.369 . . . . 0.0 110.62 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -113.24 158.41 20.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.131 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.47 153.65 29.29 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.628 -0.796 . . . . 0.0 113.152 175.869 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.625 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 77.0 m-85 -111.38 155.72 22.68 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.442 HG22 HG12 ' A' ' 30' ' ' VAL . 2.8 t -120.66 131.89 71.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 175.997 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -129.99 139.65 11.12 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.7 -175.964 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.538 ' HB3' ' HB3' ' A' ' 45' ' ' SER . 78.6 t80 -80.83 103.21 10.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.098 0.475 . . . . 0.0 110.137 178.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.574 ' HA ' HG22 ' A' ' 41' ' ' VAL . 26.0 t-20 -93.9 128.9 40.45 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.234 -178.695 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 -86.89 -7.73 57.92 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -174.189 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -80.19 -28.33 38.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.087 0.47 . . . . 0.0 109.783 176.74 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.6 p -105.22 -16.88 14.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.555 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.81 35.07 84.44 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.416 178.219 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.481 ' HG3' HG23 ' A' ' 29' ' ' ILE . 11.0 ptp180 -154.19 170.03 22.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.2 0.524 . . . . 0.0 111.862 -175.027 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -92.0 105.74 17.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.556 -178.345 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.481 HG23 ' HG3' ' A' ' 27' ' ' ARG . 2.6 pp -117.43 156.76 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 0.0 111.745 -174.602 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.442 HG12 HG22 ' A' ' 19' ' ' VAL . 23.3 m -91.41 138.99 18.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.271 0.558 . . . . 0.0 112.197 -174.915 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 12.0 mmt85 -149.24 131.94 15.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.197 176.932 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -79.64 -40.47 29.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.338 0.59 . . . . 0.0 109.555 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.2 p -93.77 102.92 15.08 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.4 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.495 ' HB3' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.38 -15.54 62.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 177.846 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -80.25 3.73 19.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.226 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 62.4 p -84.1 -5.89 59.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.99 0.424 . . . . 0.0 110.83 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.572 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 65.9 m-85 -107.62 173.22 6.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.968 177.862 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.92 -93.71 0.4 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.175 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 66.3 mtt -110.64 7.05 22.18 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.296 0.569 . . . . 0.0 109.851 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -91.15 -12.56 35.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.695 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.574 HG22 ' HA ' ' A' ' 22' ' ' ASN . 92.8 t -140.09 122.59 16.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.256 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.22 149.97 46.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.318 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -65.5 -39.11 91.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.884 0.373 . . . . 0.0 111.167 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -71.15 -10.7 60.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.838 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.538 ' HB3' ' HB3' ' A' ' 21' ' ' PHE . 19.8 m -92.57 3.84 54.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.438 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.495 HG21 ' HB3' ' A' ' 34' ' ' GLU . 67.1 mt -113.77 118.48 58.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.017 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 94.3 m -141.07 132.91 13.86 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.822 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.625 ' HA ' ' HA ' ' A' ' 18' ' ' PHE . 12.8 Cg_endo -56.04 136.34 74.45 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.001 2.467 . . . . 0.0 111.682 177.651 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.537 ' O ' HG13 ' A' ' 53' ' ' VAL . 14.5 t -64.46 -28.2 69.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.863 0.364 . . . . 0.0 110.686 -176.641 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 p -71.45 -13.38 61.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.468 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -103.64 -30.66 10.32 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.122 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -63.85 -27.63 69.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.695 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.537 HG13 ' O ' ' A' ' 49' ' ' THR . 31.3 m -73.81 -9.7 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.971 178.062 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -105.58 140.8 38.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.059 0.457 . . . . 0.0 110.076 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.653 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . 17.1 m -103.81 96.97 7.05 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 172.326 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.7 t -65.01 115.71 5.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.878 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.5 m -114.67 -24.24 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.274 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -153.14 176.79 11.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.75 -36.79 83.27 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -173.331 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.449 ' OD2' ' HB2' ' A' ' 102' ' ' GLN . 33.1 t70 -116.18 -15.69 11.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.386 0.613 . . . . 0.0 110.531 -179.022 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.5 t -97.14 108.83 22.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.014 -175.067 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -118.66 133.61 55.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.891 174.813 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.653 ' HG3' ' HB2' ' A' ' 55' ' ' SER . 13.2 ptm180 -107.86 142.91 37.2 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 178.634 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 64' ' ' LEU . 1.0 OUTLIER -71.48 116.96 12.44 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.489 . . . . . . . . 3 3 . 1 . 008 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.33 92.38 1.58 Allowed Glycine 0 N--CA 1.442 -0.953 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.915 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -60.48 -15.07 23.28 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -66.83 -23.67 66.07 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 176.459 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.404 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 1.4 pp0? -57.18 -32.75 66.77 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.888 0.375 . . . . 0.0 110.994 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 91' ' ' LEU . 37.3 mt -58.29 -42.64 87.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.007 -175.631 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -64.46 -38.75 92.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.436 -177.129 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 60.0 mt -74.25 -34.45 37.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.831 -177.43 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 26.9 mt -75.08 -39.27 60.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.337 -179.387 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.68 -25.44 65.69 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -176.311 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -80.9 -9.45 59.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.82 0.343 . . . . 0.0 111.429 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -80.82 -30.56 35.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.673 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 75.95 -30.19 0.19 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.753 0.821 . . . . 0.0 112.156 175.006 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.689 ' HB ' ' HB2' ' A' ' 80' ' ' ARG . 2.2 pp -86.34 63.42 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-O 121.752 0.787 . . . . 0.0 112.836 -170.846 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -59.42 -35.23 73.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.594 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -62.3 -28.22 69.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.305 0.574 . . . . 0.0 110.746 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.689 ' HB2' ' HB ' ' A' ' 77' ' ' ILE . 80.3 mtt180 -87.14 -42.14 13.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.431 -174.92 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 41.3 tp -95.05 -28.78 14.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.691 0.281 . . . . 0.0 111.346 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 17.0 m120 64.73 86.57 0.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.619 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.4 mp -84.38 133.3 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.285 176.829 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -56.55 150.11 27.03 Favored Glycine 0 C--N 1.331 0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 113.4 -176.417 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.562 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 38.3 tt0 -63.89 -48.4 78.81 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 111.519 0.192 . . . . 0.0 111.519 -178.387 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' A' ' 85' ' ' GLU . 31.4 Cg_exo -63.49 -17.6 60.73 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 121.728 1.619 . . . . 0.0 111.757 175.294 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.728 HD11 ' HB2' ' A' ' 12' ' ' ALA . 3.8 mm? -80.09 -33.94 38.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.623 178.059 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.421 ' O ' ' HG2' ' A' ' 92' ' ' ARG . 96.6 mt -63.91 -39.43 94.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.618 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 22.8 m -76.01 -33.75 25.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.663 ' HB2' HD11 ' A' ' 8' ' ' ILE . 15.8 t80 -63.89 -36.95 85.6 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.178 0.513 . . . . 0.0 110.146 177.58 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.491 ' HA ' HD13 ' A' ' 69' ' ' LEU . 9.9 tt -64.65 -32.86 74.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.161 178.094 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 88' ' ' LEU . 18.4 mmm180 -74.5 -50.02 19.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 -178.55 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -152.56 132.43 13.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.154 0.502 . . . . 0.0 110.309 176.998 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -86.11 101.72 13.22 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.131 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.839 ' HB2' HG13 ' A' ' 3' ' ' ILE . 33.8 t70 -74.54 -32.22 62.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.084 178.182 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.6 mp -115.16 114.21 43.44 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 174.862 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.49 -57.84 1.74 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 123.053 2.502 . . . . 0.0 112.88 -176.066 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -133.35 100.97 4.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.884 0.373 . . . . 0.0 110.183 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.454 HG21 ' HB3' ' A' ' 9' ' ' CYS . 54.4 mt -80.43 115.6 23.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.631 -178.624 . . . . . . . . 2 2 . 1 . 008 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.7 p -109.96 133.19 53.44 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.092 0.472 . . . . 0.0 111.118 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -121.95 139.22 53.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.499 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.449 ' HB2' ' OD2' ' A' ' 60' ' ' ASP . 7.9 pt20 . . . . . 0 C--N 1.323 -0.582 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 m . . . . . 0 C--O 1.233 0.222 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 009 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.7 mm -68.73 147.93 11.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.552 ' OG1' ' HB3' ' A' ' 86' ' ' PRO . 40.7 p -91.45 -175.08 4.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.951 0.405 . . . . 0.0 111.524 -174.262 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 m -77.17 -169.73 1.46 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.7 m -50.93 -21.77 1.91 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.843 0.857 . . . . 0.0 112.546 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -51.84 -21.78 3.18 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 122.61 0.364 . . . . 0.0 111.807 176.263 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.73 HG13 ' HB2' ' A' ' 86' ' ' PRO . 18.9 tt -57.57 -38.56 64.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.92 0.391 . . . . 0.0 110.871 178.02 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 50.5 m -75.87 -30.72 58.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.084 0.469 . . . . 0.0 110.579 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -73.22 -42.51 62.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.087 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.98 -27.56 69.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.069 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.538 ' HB1' HG21 ' A' ' 53' ' ' VAL . . . -65.87 -20.96 66.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.163 178.754 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -80.44 -22.19 41.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.462 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.73 -10.0 59.62 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.682 -175.954 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.615 ' O ' ' HB2' ' A' ' 50' ' ' SER . 10.4 mp -67.85 120.22 13.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.29 177.565 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -116.65 151.38 36.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.901 0.381 . . . . 0.0 110.497 177.654 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 128.68 147.62 6.48 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -174.51 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.545 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 56.2 m-85 -111.3 126.0 54.44 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -176.9 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.0 t -94.63 124.8 47.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -177.587 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.32 148.39 20.09 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.82 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -85.23 118.34 24.72 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.541 ' OD1' ' HG2' ' A' ' 24' ' ' LYS . 46.3 t-20 -93.62 122.88 36.52 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.074 0.464 . . . . 0.0 110.166 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -64.38 -32.0 73.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.937 -175.484 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.541 ' HG2' ' OD1' ' A' ' 22' ' ' ASN . 18.3 ptpt -87.37 -16.63 34.42 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.458 -0.497 . . . . 0.0 112.037 -173.298 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.486 ' OG1' ' HB3' ' A' ' 22' ' ' ASN . 25.4 p -105.66 -26.13 11.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.045 0.45 . . . . 0.0 110.675 176.878 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.09 20.95 71.84 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.112 177.973 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -122.82 149.93 43.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.934 0.397 . . . . 0.0 110.953 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -88.48 96.59 10.67 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 171.58 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.4 pp -117.39 179.17 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -167.1 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.8 p -100.7 131.4 48.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.61 0.719 . . . . 0.0 111.221 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -125.71 136.5 53.26 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.362 175.732 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -90.73 4.17 52.29 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.274 0.559 . . . . 0.0 110.136 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -132.32 122.12 24.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.475 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -69.44 -41.2 76.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.394 0.616 . . . . 0.0 110.455 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -85.56 21.91 1.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.107 -173.562 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.5 p -77.85 -11.58 59.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.31 0.576 . . . . 0.0 110.062 176.878 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -126.35 140.92 52.12 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.439 -0.801 . . . . 0.0 108.963 174.392 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.3 -93.22 1.81 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.404 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 26.6 ptm -102.36 11.77 37.57 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.439 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.28 -60.53 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.629 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.7 t -114.37 135.26 54.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.529 -174.965 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.12 136.03 56.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.234 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -68.16 -14.95 63.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.209 -175.856 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -68.8 -29.28 67.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.0 0.428 . . . . 0.0 110.509 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.6 t -84.62 -24.71 29.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.501 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.4 mt -85.87 99.89 8.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.018 0.437 . . . . 0.0 110.123 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.5 m -121.55 129.19 25.31 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.018 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.545 ' HA ' ' HA ' ' A' ' 18' ' ' PHE . 16.4 Cg_endo -58.72 135.53 67.77 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.586 2.191 . . . . 0.0 110.858 173.315 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.45 HG23 ' HB3' ' A' ' 15' ' ' LEU . 7.1 t -60.1 -30.76 69.46 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -173.655 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.615 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 31.4 t -62.65 -36.53 83.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.156 0.503 . . . . 0.0 110.427 177.533 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -95.42 -1.04 51.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.394 0.616 . . . . 0.0 110.091 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -90.66 -31.68 16.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.658 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.538 HG21 ' HB1' ' A' ' 12' ' ' ALA . 9.0 m -84.37 -7.94 11.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.017 -177.491 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -107.13 125.01 50.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.561 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.8 m -125.21 108.84 12.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.701 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.516 ' HA ' ' HA ' ' A' ' 62' ' ' MET . 35.3 m -64.86 115.89 5.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.984 0.421 . . . . 0.0 110.704 178.445 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.2 m -107.46 2.63 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.417 ' HB3' ' HB ' ' A' ' 61' ' ' VAL . 9.2 ttp180 -152.08 -172.15 4.14 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -53.42 -55.31 26.13 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 111.553 -177.757 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -122.22 -22.34 5.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.047 0.451 . . . . 0.0 110.928 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.541 HG22 ' HB3' ' A' ' 102' ' ' GLN . 32.6 t -71.83 126.17 31.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.211 -177.029 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.516 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 68.9 mtm -111.83 146.81 37.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.745 -177.912 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.594 ' HD2' ' OE1' ' A' ' 98' ' ' GLU . 13.5 tpp180 -101.98 139.6 37.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.63 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -80.19 115.27 19.66 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 174.258 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.642 ' O ' ' HG3' ' A' ' 68' ' ' GLN . . . -68.43 111.19 3.82 Favored Glycine 0 C--O 1.22 -0.759 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.551 -177.804 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -22.68 60.71 Favored 'General case' 0 C--N 1.315 -0.919 0 O-C-N 122.297 -0.531 . . . . 0.0 110.626 171.022 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.37 -24.85 63.03 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.741 -174.766 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.642 ' HG3' ' O ' ' A' ' 65' ' ' GLY . 2.8 pp0? -58.59 -30.42 67.18 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -177.851 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.47 HD13 ' HA ' ' A' ' 91' ' ' LEU . 57.8 mt -55.98 -42.05 75.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.314 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.457 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 67.8 mm-40 -66.93 -34.36 77.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.596 -177.555 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 61.1 mt -77.18 -39.1 28.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.359 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 57.7 mt -70.18 -31.86 69.53 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -175.569 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.1 pp -60.12 -22.97 63.47 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -176.716 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.454 ' N ' HD12 ' A' ' 73' ' ' LEU . 43.4 mm-40 -50.88 -34.31 27.67 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.969 0.414 . . . . 0.0 110.813 176.286 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.923 ' HB2' HD11 ' A' ' 81' ' ' LEU . 67.0 mm-40 -110.62 131.56 54.95 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.794 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -98.83 -0.36 42.65 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.916 -172.836 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.593 HD13 ' HB3' ' A' ' 80' ' ' ARG . 1.0 OUTLIER -85.57 85.89 2.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.449 0.642 . . . . 0.0 111.57 177.949 . . . . . . . . 3 3 . 1 . 009 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -63.17 -37.14 86.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.371 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -63.97 -39.2 93.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.284 0.564 . . . . 0.0 110.654 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.593 ' HB3' HD13 ' A' ' 77' ' ' ILE . 56.3 ttt180 -75.95 -40.96 52.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.408 -177.315 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.923 HD11 ' HB2' ' A' ' 75' ' ' GLN . 90.3 mt -75.59 -12.13 60.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.253 177.871 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 71.63 25.26 3.34 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.981 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.463 HD11 HD13 ' A' ' 72' ' ' LEU . 1.6 mp -61.33 120.12 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.053 0.454 . . . . 0.0 110.034 176.33 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.513 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -75.58 170.53 54.53 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.663 -0.699 . . . . 0.0 113.019 -176.651 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.44 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 5.4 mm-40 -55.13 -53.87 56.75 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -177.453 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.73 ' HB2' HG13 ' A' ' 8' ' ' ILE . 42.9 Cg_endo -67.95 -10.94 30.46 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.104 1.87 . . . . 0.0 112.494 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.513 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.3 mm? -77.63 -28.94 51.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.096 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 mp -68.45 -43.76 76.33 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.801 0.334 . . . . 0.0 110.525 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.474 HG22 ' HA ' ' A' ' 86' ' ' PRO . 35.5 m -73.73 -34.8 41.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.281 -177.498 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.599 ' HB2' HD11 ' A' ' 8' ' ' ILE . 50.3 t80 -60.97 -35.64 77.31 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.114 0.483 . . . . 0.0 110.355 177.955 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.47 ' HA ' HD13 ' A' ' 69' ' ' LEU . 10.5 tt -62.3 -37.17 84.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -74.46 -51.66 14.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.308 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -160.52 164.19 32.26 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.155 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -117.96 129.42 55.59 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.143 0.497 . . . . 0.0 111.073 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.25 -46.34 87.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.171 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 50.2 tp -107.65 108.16 61.22 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.147 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -63.91 -13.57 38.07 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 123.221 2.614 . . . . 0.0 112.889 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.594 ' OE1' ' HD2' ' A' ' 63' ' ' ARG . 8.0 tp10 -139.12 88.97 2.31 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.275 -178.826 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 60.0 mt -92.29 107.57 19.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.466 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.442 HG22 HG12 ' A' ' 61' ' ' VAL . 2.7 m -133.6 120.57 20.89 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.295 176.984 . . . . . . . . 2 2 . 1 . 009 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.06 156.85 43.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.84 0.353 . . . . 0.0 111.448 -173.796 . . . . . . . . 1 1 . 1 . 009 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.541 ' HB3' HG22 ' A' ' 61' ' ' VAL . 30.2 pt20 . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.884 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.735 0.302 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 010 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.771 HG13 ' HB2' ' A' ' 95' ' ' ASP . 48.6 mm -75.51 144.14 12.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 173.632 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.0 p -91.11 172.62 8.43 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.994 0.426 . . . . 0.0 112.039 -171.08 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.425 ' HB2' ' OD1' ' A' ' 7' ' ' ASP . 16.5 m -75.59 -169.9 1.14 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.208 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.56 -22.95 2.21 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.584 0.754 . . . . 0.0 112.243 -178.024 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 7' ' ' ASP . . . . . 0.425 ' OD1' ' HB2' ' A' ' 5' ' ' SER . 3.2 m-20 -55.2 -21.58 14.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.274 179.001 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.636 HD11 ' HB2' ' A' ' 90' ' ' TYR . 15.7 tt -57.07 -38.62 61.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-O 120.977 0.418 . . . . 0.0 110.536 177.443 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.447 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 58.1 m -75.54 -30.61 59.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.026 0.441 . . . . 0.0 110.808 178.134 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -68.85 -37.65 79.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.217 -178.136 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.97 -22.0 63.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.874 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.48 ' HB1' HG21 ' A' ' 53' ' ' VAL . . . -74.43 -24.49 59.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.209 0.528 . . . . 0.0 110.289 177.437 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -77.45 -21.3 53.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.958 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.54 -5.0 59.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.587 -177.667 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 83' ' ' ILE . 60.9 mt -65.39 129.84 41.18 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -114.83 140.36 49.0 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.985 0.421 . . . . 0.0 110.827 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 135.22 147.13 5.45 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 -177.372 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -111.07 124.51 52.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.935 0.398 . . . . 0.0 110.152 -177.445 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.436 HG22 HG12 ' A' ' 30' ' ' VAL . 18.8 t -95.62 131.76 41.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.266 -176.75 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.35 163.95 29.28 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.26 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -97.13 109.54 22.27 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.445 ' HB2' HG12 ' A' ' 29' ' ' ILE . 52.2 t30 -90.28 122.66 33.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.085 0.469 . . . . 0.0 110.917 -176.886 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -62.42 -20.99 65.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.352 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -66.12 -53.7 34.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.53 0.205 . . . . 0.0 111.047 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.1 t -93.24 -19.64 21.22 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.399 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.65 33.74 63.39 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.627 -177.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -139.96 176.6 8.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.735 0.303 . . . . 0.0 110.294 -177.61 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -82.16 129.3 34.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.187 175.045 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.445 HG12 ' HB2' ' A' ' 22' ' ' ASN . 2.7 pp -133.72 171.4 18.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.147 176.946 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.472 HG21 HD11 ' A' ' 77' ' ' ILE . 27.3 m -123.35 140.51 46.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.211 0.529 . . . . 0.0 110.857 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.419 ' HG3' ' H ' ' A' ' 33' ' ' SER . 15.5 tpp180 -132.05 154.43 49.42 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 176.649 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -102.99 4.42 37.37 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.369 0.604 . . . . 0.0 109.741 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.51 ' HB2' ' OG ' ' A' ' 36' ' ' SER . 4.4 m -125.87 116.57 21.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.109 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -69.25 -32.11 71.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.689 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -72.71 -10.44 59.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.323 -174.739 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.51 ' OG ' ' HB2' ' A' ' 33' ' ' SER . 16.6 m -74.73 -7.02 52.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.056 0.455 . . . . 0.0 111.025 -178.513 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.436 ' HB2' HD11 ' A' ' 46' ' ' ILE . 70.9 m-85 -123.01 106.28 10.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.814 176.861 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.5 -76.12 1.2 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.168 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -104.75 2.64 30.47 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 172.748 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.47 -52.06 50.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.829 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.5 t -133.12 145.56 33.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 114.745 -1.116 . . . . 0.0 108.716 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 42' ' ' ALA . . . . . 0.401 ' O ' HG13 ' A' ' 46' ' ' ILE . . . -66.6 137.17 56.55 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.761 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -63.15 -26.13 68.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.983 0.42 . . . . 0.0 110.673 -177.925 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -70.88 -29.73 65.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.314 175.962 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.8 m -86.0 -18.0 33.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.096 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.436 HD11 ' HB2' ' A' ' 37' ' ' PHE . 59.5 mt -75.78 97.39 1.38 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 174.566 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.6 m -114.03 124.85 30.23 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 -175.76 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -58.49 141.25 97.11 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.548 2.166 . . . . 0.0 110.795 172.28 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.459 ' HA ' ' HB3' ' A' ' 52' ' ' PHE . 6.2 t -64.13 -13.87 51.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.584 0.23 . . . . 0.0 111.577 -177.279 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.94 -30.28 69.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.107 0.479 . . . . 0.0 110.458 175.678 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -104.75 -27.22 11.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.114 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.459 ' HB3' ' HA ' ' A' ' 49' ' ' THR . 63.2 t80 -57.91 -35.45 71.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.557 -176.319 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.549 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 27.6 m -75.51 -8.79 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -177.581 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.447 ' CH2' ' HB3' ' A' ' 9' ' ' CYS . 97.6 m95 -102.68 124.85 48.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.136 0.493 . . . . 0.0 111.005 -178.891 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.4 t -110.01 111.72 23.28 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.5 t -67.24 115.45 6.92 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.0 m -107.46 -27.1 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -175.589 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -161.25 108.49 1.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.884 0.374 . . . . 0.0 111.953 -178.467 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 55.93 -92.8 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.703 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -111.6 -11.84 13.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.437 0.636 . . . . 0.0 110.021 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.551 ' HA ' ' HB3' ' A' ' 102' ' ' GLN . 30.2 t -71.91 109.51 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.359 -177.813 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 70.1 mtm -99.95 132.15 45.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.317 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -95.56 120.54 35.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.142 177.745 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -70.1 111.77 5.99 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 174.361 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.86 107.61 3.56 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.089 -176.893 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.576 ' HB3' ' CE2' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -68.96 -17.65 63.97 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 122.611 -0.347 . . . . 0.0 111.027 176.337 . . . . . . . . 3 3 . 1 . 010 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.531 ' OE1' ' HD3' ' A' ' 66' ' ' ARG . 1.7 mp0 -56.74 -30.58 63.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.608 0.718 . . . . 0.0 109.986 175.633 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.549 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 12.9 mm-40 -66.5 -31.51 72.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.321 -176.385 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.575 HD13 ' HA ' ' A' ' 66' ' ' ARG . 10.0 mp -63.39 -28.51 70.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -178.923 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -67.52 -30.84 70.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.727 0.299 . . . . 0.0 110.612 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.532 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 61.8 mt -74.55 -34.89 36.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.408 0.623 . . . . 0.0 110.161 178.267 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.0 mt -74.13 -29.77 61.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.356 0.598 . . . . 0.0 109.908 175.912 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.7 tp -66.88 -38.69 86.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.622 -178.19 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 71' ' ' ILE . 13.5 pt-20 -69.49 -29.25 66.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.945 0.402 . . . . 0.0 110.051 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.414 ' NE2' ' HA ' ' A' ' 29' ' ' ILE . 4.5 tp-100 -69.4 -45.55 68.96 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 175.173 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 65.17 30.97 11.19 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 114.671 -1.149 . . . . 0.0 112.319 169.773 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.472 HD11 HG21 ' A' ' 30' ' ' VAL . 1.8 pp -117.07 55.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.48 0.657 . . . . 0.0 110.826 175.279 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.507 ' HA ' HD13 ' A' ' 83' ' ' ILE . 46.3 t-20 -55.12 -36.2 65.46 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.75 -177.753 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -59.95 -33.5 72.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.394 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -79.45 -54.46 5.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.848 0.356 . . . . 0.0 111.197 -176.366 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.54 -26.51 64.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.988 -177.168 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.6 t30 62.84 83.87 0.15 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.138 -174.904 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.507 HD13 ' HA ' ' A' ' 78' ' ' ASN . 1.9 mp -80.91 128.2 38.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 176.616 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.573 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -55.2 145.47 30.64 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.69 -0.686 . . . . 0.0 113.039 -176.46 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.559 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 2.5 mp0 -55.69 -48.15 97.13 Favored Pre-proline 0 C--N 1.321 -0.66 0 C-N-CA 122.67 0.388 . . . . 0.0 111.643 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.559 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 38.2 Cg_exo -59.73 -26.31 81.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 C-N-CA 122.014 1.809 . . . . 0.0 112.245 175.764 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.573 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.4 mm? -68.89 -35.04 76.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.865 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.666 ' O ' ' HD3' ' A' ' 92' ' ' ARG . 10.4 mp -63.99 -43.46 95.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.714 174.3 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.479 HG12 HD13 ' A' ' 3' ' ' ILE . 16.7 t -63.44 -34.93 70.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.27 0.557 . . . . 0.0 109.97 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.636 ' HB2' HD11 ' A' ' 8' ' ' ILE . 7.0 t80 -64.75 -33.88 77.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.353 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.7 tt -72.2 -32.39 66.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.032 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.666 ' HD3' ' O ' ' A' ' 88' ' ' LEU . 4.2 mpt_? -60.09 -59.71 4.99 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.933 176.79 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.599 ' HG3' HD11 ' A' ' 3' ' ' ILE . 6.6 ptp180 -149.25 131.99 15.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.017 0.437 . . . . 0.0 110.629 173.499 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.45 ' O ' ' HG3' ' A' ' 94' ' ' GLN . 11.4 pt20 -83.14 100.51 10.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.602 0.715 . . . . 0.0 109.992 176.509 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.771 ' HB2' HG13 ' A' ' 3' ' ' ILE . 16.4 t70 -68.25 -41.68 80.78 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 175.985 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.1 mp -117.64 102.63 51.56 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.217 173.231 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -57.2 -43.34 53.77 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.889 2.393 . . . . 0.0 112.265 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -116.48 92.16 3.8 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.531 178.306 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.441 HG21 ' SG ' ' A' ' 9' ' ' CYS . 51.4 mt -83.22 104.8 12.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 175.314 . . . . . . . . 2 2 . 1 . 010 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.4 p -101.42 123.44 45.49 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.736 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.94 136.83 47.64 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.742 -177.632 . . . . . . . . 1 1 . 1 . 010 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.551 ' HB3' ' HA ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.703 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.119 177.148 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 m . . . . . 0 C--O 1.236 0.384 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 011 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.636 HG13 ' HB3' ' A' ' 95' ' ' ASP . 38.2 mm -67.77 141.65 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.151 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.421 ' OG1' ' HB ' ' A' ' 8' ' ' ILE . 30.2 p -91.05 -175.19 4.24 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.383 -172.716 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.503 ' O ' HG22 ' A' ' 8' ' ' ILE . 13.2 m -78.59 -170.2 2.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.011 -178.277 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.1 m -50.45 -23.75 2.65 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.642 0.777 . . . . 0.0 112.689 -175.502 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -52.83 -29.89 30.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.4 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.536 HD11 ' HB2' ' A' ' 90' ' ' TYR . 16.5 tt -63.83 -34.78 70.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-O 120.967 0.413 . . . . 0.0 110.811 -179.117 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.3 m -74.51 -39.99 62.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.514 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -74.19 -36.75 64.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.146 -177.106 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.79 -32.51 71.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.438 ' HB2' HD11 ' A' ' 87' ' ' LEU . . . -66.11 -25.67 67.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.896 0.379 . . . . 0.0 111.625 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -86.61 -17.61 33.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.289 0.566 . . . . 0.0 110.028 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.91 2.25 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.197 -175.337 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.416 HD11 ' H ' ' A' ' 84' ' ' GLY . 11.0 mp -66.29 169.37 7.33 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.779 0.323 . . . . 0.0 110.965 177.562 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.454 ' HG2' ' HB2' ' A' ' 82' ' ' ASN . 17.7 ptpt -141.24 157.08 45.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.798 0.333 . . . . 0.0 110.692 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.52 154.43 17.04 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.35 178.273 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -118.75 122.87 43.46 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.51 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 12.1 p -114.04 134.43 56.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.594 -173.909 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.76 175.92 29.54 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.347 -176.388 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -100.64 123.62 45.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.841 0.353 . . . . 0.0 110.9 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.505 ' HB3' HG22 ' A' ' 25' ' ' THR . 24.5 t-20 -94.94 114.58 26.43 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.238 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.445 ' HG2' ' HB3' ' A' ' 40' ' ' ASP . 13.4 ptm180 -71.38 -20.86 62.09 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -172.965 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.494 ' HB2' ' OD1' ' A' ' 40' ' ' ASP . 3.5 ttmp? -76.35 -49.65 16.29 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 122.131 -0.356 . . . . 0.0 110.883 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.505 HG22 ' HB3' ' A' ' 22' ' ' ASN . 12.1 t -81.82 -24.41 35.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.942 0.401 . . . . 0.0 110.72 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.47 40.58 27.43 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.863 175.121 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.491 ' HG2' HG23 ' A' ' 25' ' ' THR . 32.1 ptt180 -154.25 168.02 27.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.867 0.365 . . . . 0.0 110.97 177.987 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.47 ' CE2' HG22 ' A' ' 19' ' ' VAL . 2.2 t80 -96.71 119.99 36.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.784 -174.558 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 pp -130.19 159.55 42.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.712 0.291 . . . . 0.0 111.761 -174.031 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.51 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 8.3 p -116.3 145.21 22.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.84 -178.542 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.47 148.02 45.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.334 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -73.28 -41.35 63.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.422 -176.6 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.2 m -101.19 134.13 44.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.17 -176.47 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -66.33 -45.35 80.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.104 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -61.78 -17.23 55.25 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.915 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.6 m -83.73 25.79 0.75 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.895 0.379 . . . . 0.0 111.469 -175.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -90.34 149.32 22.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.961 0.41 . . . . 0.0 110.117 177.78 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.96 176.6 24.86 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.231 176.174 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 26.3 mmt -69.92 -0.73 7.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.201 0.524 . . . . 0.0 111.019 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.494 ' OD1' ' HB2' ' A' ' 24' ' ' LYS . 14.9 m-20 -82.21 -11.37 58.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.291 175.366 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.2 t -129.44 123.91 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.681 -179.107 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.13 142.57 47.48 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -64.07 -27.37 69.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.61 0.243 . . . . 0.0 111.167 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -71.63 -29.63 64.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.934 0.397 . . . . 0.0 110.371 174.732 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.0 m -82.03 -6.51 59.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.294 -177.404 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.1 mt -69.99 101.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.8 m -101.03 117.18 62.91 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.134 -175.23 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -61.37 130.71 33.02 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.318 2.012 . . . . 0.0 110.299 171.455 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.403 HG23 ' HB3' ' A' ' 15' ' ' LEU . 9.0 t -60.53 -25.77 66.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.485 0.183 . . . . 0.0 111.456 -177.108 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.6 m -68.99 -17.33 63.91 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 120.88 0.371 . . . . 0.0 110.945 177.532 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -115.48 3.31 14.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.176 0.512 . . . . 0.0 110.105 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -93.04 -44.21 8.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.607 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.551 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 34.4 m -68.86 -21.98 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.987 -178.688 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -87.46 115.55 24.96 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 173.819 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.5 t -98.9 111.56 23.92 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.97 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.3 m -74.51 114.1 12.52 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.886 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.1 m -110.84 -4.87 11.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.449 0.642 . . . . 0.0 109.725 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.478 ' HB3' ' HB ' ' A' ' 61' ' ' VAL . 33.9 ttt180 -151.63 166.3 31.65 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -61.43 -51.96 66.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.821 0.343 . . . . 0.0 111.351 -176.493 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -97.82 -32.56 11.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.478 ' HB ' ' HB3' ' A' ' 58' ' ' ARG . 46.0 t -91.52 115.19 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.153 0.501 . . . . 0.0 111.827 -174.279 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.426 ' O ' ' HA ' ' A' ' 100' ' ' THR . 62.4 mtm -108.06 157.94 17.83 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.765 175.298 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -130.24 144.2 51.23 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 176.971 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.537 HD12 ' CE2' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -73.93 118.94 17.47 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 175.353 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -99.88 112.27 4.4 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.114 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.519 ' HA ' HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -70.73 -18.89 62.78 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 122.415 -0.462 . . . . 0.0 111.719 178.407 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -63.17 -23.68 67.54 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.123 0.487 . . . . 0.0 110.814 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.551 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 8.3 mm-40 -67.14 -34.95 78.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.127 -178.881 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 66' ' ' ARG . 8.3 mp -68.3 -27.66 66.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.201 -0.908 . . . . 0.0 111.152 -176.96 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -61.53 -33.79 74.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.658 0.266 . . . . 0.0 111.1 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 71' ' ' ILE . . . . . 0.438 ' O ' ' HG3' ' A' ' 74' ' ' GLU . 64.1 mt -69.22 -39.92 79.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.247 0.546 . . . . 0.0 110.09 178.715 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.5 mt -73.1 -25.18 60.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.593 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.7 tp -68.81 -27.13 65.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.191 -174.347 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.492 ' OE2' ' HB2' ' A' ' 75' ' ' GLN . 0.8 OUTLIER -82.49 -22.12 35.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.174 0.511 . . . . 0.0 110.6 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.492 ' HB2' ' OE2' ' A' ' 74' ' ' GLU . 6.0 tp-100 -108.81 89.11 2.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.678 176.925 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -73.63 84.9 1.59 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.194 0.521 . . . . 0.0 111.328 -176.256 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 pp -135.57 56.49 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.568 174.431 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.44 ' HA ' HD13 ' A' ' 83' ' ' ILE . 24.4 m-80 -56.62 -35.37 68.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.806 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -27.56 66.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.109 177.906 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.452 ' HD2' ' HA ' ' A' ' 80' ' ' ARG . 16.6 tpt180 -84.98 -52.4 6.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.837 0.351 . . . . 0.0 111.167 -176.236 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 81' ' ' LEU . 8.1 tt -85.41 -25.38 27.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -174.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.454 ' HB2' ' HG2' ' A' ' 16' ' ' LYS . 5.2 m-20 65.26 72.08 0.43 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.165 0.507 . . . . 0.0 110.778 -175.961 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 78' ' ' ASN . 3.2 mp -77.44 124.27 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 175.956 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.582 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -54.92 141.36 36.83 Favored Glycine 0 N--CA 1.451 -0.339 0 O-C-N 123.577 0.548 . . . . 0.0 112.783 -178.223 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.544 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 2.0 mp0 -58.39 -49.12 95.29 Favored Pre-proline 0 C--N 1.321 -0.643 0 C-N-CA 122.635 0.374 . . . . 0.0 111.91 -177.06 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.544 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 28.5 Cg_exo -63.74 -16.08 52.66 Favored 'Trans proline' 0 C--N 1.358 1.064 0 C-N-CA 121.999 1.799 . . . . 0.0 112.32 177.41 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.582 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.1 mm? -72.29 -32.26 66.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.235 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.49 ' O ' ' HG3' ' A' ' 92' ' ' ARG . 3.5 mm? -63.39 -31.34 72.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.275 0.559 . . . . 0.0 109.589 174.33 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.519 HG12 HD13 ' A' ' 3' ' ' ILE . 54.0 t -68.65 -42.55 83.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.4 177.289 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.537 ' CE2' HD12 ' A' ' 64' ' ' LEU . 12.9 t80 -65.62 -30.49 71.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.83 178.573 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 60.8 tp -69.45 -35.71 75.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.527 177.007 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 88' ' ' LEU . 54.5 mtt180 -58.55 -58.65 7.62 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 121.147 0.498 . . . . 0.0 110.525 178.796 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.442 ' O ' HD11 ' A' ' 3' ' ' ILE . 4.3 ptp180 -144.99 132.06 20.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.286 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -87.06 61.9 7.05 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.443 0.64 . . . . 0.0 109.45 172.745 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.636 ' HB3' HG13 ' A' ' 3' ' ' ILE . 19.1 t70 -53.15 -44.76 68.06 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.525 178.343 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 80.6 mt -96.04 101.2 7.88 Favored Pre-proline 0 N--CA 1.446 -0.641 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 166.033 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -69.04 -18.35 40.45 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.644 2.229 . . . . 0.0 112.666 -171.323 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -150.44 92.76 1.89 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.072 0.463 . . . . 0.0 111.356 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 63.5 mt -75.06 104.73 3.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 168.856 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 62' ' ' MET . 5.6 p -99.02 137.75 37.1 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.233 0.54 . . . . 0.0 111.49 -174.957 . . . . . . . . 2 2 . 1 . 011 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.22 120.68 36.83 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.441 178.385 . . . . . . . . 1 1 . 1 . 011 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.416 ' HB3' HG22 ' A' ' 61' ' ' VAL . 10.8 pt20 . . . . . 0 C--N 1.32 -0.684 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.691 -178.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.672 0.272 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 012 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.618 HG13 ' H ' ' A' ' 95' ' ' ASP . 45.5 mm -86.09 137.58 20.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 174.895 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.3 p -91.72 -175.56 4.2 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.213 0.53 . . . . 0.0 111.985 -172.001 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 m -69.75 -168.42 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.255 -177.338 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.5 m -49.44 -22.79 1.27 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.704 0.802 . . . . 0.0 112.541 -176.242 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -52.62 -24.97 9.41 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 122.674 0.39 . . . . 0.0 111.969 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.705 HG13 ' HB2' ' A' ' 86' ' ' PRO . 19.6 tt -62.54 -34.83 67.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 120.911 0.386 . . . . 0.0 110.765 178.086 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.5 t -74.89 -35.23 62.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.217 0.532 . . . . 0.0 110.237 177.045 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -72.99 -34.0 66.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.108 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 11' ' ' ALA . . . . . 0.566 ' HB1' ' HA3' ' A' ' 84' ' ' GLY . . . -62.72 -32.12 73.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.49 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.491 ' HA ' HD13 ' A' ' 15' ' ' LEU . . . -67.69 -19.66 65.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.365 0.603 . . . . 0.0 110.754 178.294 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -85.62 -11.98 52.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.028 178.904 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.87 -1.83 57.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.661 -177.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.607 ' HB3' HG23 ' A' ' 49' ' ' THR . 11.0 mp -71.32 128.76 36.96 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 175.668 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -129.28 143.35 50.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.078 0.466 . . . . 0.0 111.075 -174.895 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.58 166.06 13.21 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.89 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -111.88 132.62 54.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.817 0.341 . . . . 0.0 110.434 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.51 HG23 ' HB ' ' A' ' 49' ' ' THR . 47.8 t -101.79 130.86 50.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.726 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.29 162.54 27.22 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.23 -0.986 . . . . 0.0 112.575 -178.095 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -109.45 114.56 28.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.882 0.372 . . . . 0.0 110.062 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -89.21 101.17 13.83 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.284 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -69.39 -20.95 63.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.791 -174.075 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -53.32 -45.79 69.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.979 0.418 . . . . 0.0 110.79 176.422 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.7 t -105.07 -13.3 15.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.579 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.89 49.88 26.53 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.762 177.403 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -151.1 162.88 40.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.74 -0.271 . . . . 0.0 110.413 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -86.8 138.53 31.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.968 177.973 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.4 pp -132.56 160.33 42.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.691 178.421 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.2 m -118.29 128.7 75.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.161 177.097 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.621 ' HG3' ' HE2' ' A' ' 37' ' ' PHE . 11.1 mmt180 -135.49 164.65 27.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.753 -177.366 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.553 ' HZ ' ' HG3' ' A' ' 80' ' ' ARG . 85.3 m-85 -111.87 -21.95 11.35 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.382 0.61 . . . . 0.0 109.72 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.417 ' HB3' ' HB2' ' A' ' 36' ' ' SER . 36.5 t -106.97 112.92 26.11 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.672 174.748 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.47 -19.08 63.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.674 0.749 . . . . 0.0 109.496 175.464 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -77.07 -13.78 59.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.733 -1.122 . . . . 0.0 110.758 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.417 ' HB2' ' HB3' ' A' ' 33' ' ' SER . 4.4 t -63.66 -33.31 75.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.171 -174.771 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.621 ' HE2' ' HG3' ' A' ' 31' ' ' ARG . 69.6 m-85 -105.75 162.89 13.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.506 178.624 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.32 -130.08 3.03 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.302 -0.951 . . . . 0.0 113.141 -177.106 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -59.79 -21.25 60.56 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -170.896 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -73.54 -31.09 63.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.03 0.443 . . . . 0.0 110.794 -179.318 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.85 127.24 69.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.797 -176.648 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.09 120.5 12.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.293 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -67.48 -18.34 65.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.5 -174.644 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -74.42 -21.67 59.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.319 . . . . 0.0 110.894 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.4 m -81.34 -19.65 42.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.572 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 59.9 mt -73.03 98.14 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.629 178.218 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.7 m -115.94 134.53 22.72 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.234 -172.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -51.95 126.08 19.04 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.846 2.364 . . . . 0.0 111.178 173.161 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.607 HG23 ' HB3' ' A' ' 15' ' ' LEU . 9.6 t -61.89 -25.78 67.76 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -173.191 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.42 ' O ' HG22 ' A' ' 53' ' ' VAL . 31.4 t -64.85 -43.37 93.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.554 0.216 . . . . 0.0 110.836 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.608 ' HA ' ' HD1' ' A' ' 54' ' ' TRP . 34.2 tt0 -87.28 -14.53 40.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.317 0.58 . . . . 0.0 110.258 -178.125 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -67.21 -25.39 66.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.845 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.579 ' HA ' ' HG2' ' A' ' 68' ' ' GLN . 10.7 m -87.29 -3.61 9.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.468 -176.338 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.608 ' HD1' ' HA ' ' A' ' 51' ' ' GLU . 98.1 m95 -99.45 118.38 35.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.009 0.433 . . . . 0.0 110.72 -179.09 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.2 m -90.9 112.89 24.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.195 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.456 ' HA ' ' HG2' ' A' ' 62' ' ' MET . 20.3 m -65.47 124.48 22.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.526 179.325 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.5 m -115.14 7.55 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -177.189 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.446 ' HB3' HG12 ' A' ' 61' ' ' VAL . 29.6 ttm180 -166.39 -77.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.66 178.994 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.431 ' OD1' ' HG2' ' A' ' 58' ' ' ARG . 6.3 m-20 -135.97 -87.11 0.34 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.578 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -95.59 -23.06 17.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.061 175.664 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.446 HG12 ' HB3' ' A' ' 58' ' ' ARG . 7.5 p -69.78 120.33 17.3 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 CA-C-O 121.732 0.777 . . . . 0.0 110.454 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.456 ' HG2' ' HA ' ' A' ' 56' ' ' SER . 57.3 mtt -126.73 149.44 49.59 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.482 -178.614 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.523 ' HB2' ' HB2' ' A' ' 98' ' ' GLU . 31.3 ptt180 -111.35 146.63 36.76 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.684 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.542 ' HB2' ' HB ' ' A' ' 99' ' ' ILE . 0.8 OUTLIER -63.09 110.5 1.85 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 177.666 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.697 ' O ' ' HG3' ' A' ' 68' ' ' GLN . . . -87.29 120.07 5.42 Favored Glycine 0 N--CA 1.439 -1.11 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.26 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.3 ptm85 -70.76 -13.05 61.91 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 117.412 0.606 . . . . 0.0 110.985 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' HG3' ' H ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -65.25 -27.27 68.53 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -178.372 . . . . . . . . 3 3 . 1 . 012 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.697 ' HG3' ' O ' ' A' ' 65' ' ' GLY . 3.3 pp0? -65.34 -30.16 70.97 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 111.086 174.915 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.62 ' HG ' ' NE2' ' A' ' 68' ' ' GLN . 81.6 mt -60.97 -30.92 70.54 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.795 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -69.3 -34.04 74.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.878 0.37 . . . . 0.0 110.339 178.641 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.8 mt -73.63 -48.22 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.222 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.67 -27.6 69.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.939 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.5 tp -56.93 -28.7 62.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.049 -178.627 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -82.06 -13.46 57.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.9 0.381 . . . . 0.0 111.091 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -122.25 90.85 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.84 0.352 . . . . 0.0 110.091 -179.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -79.75 35.13 0.29 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.191 0.519 . . . . 0.0 111.653 -174.813 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.418 ' H ' HG13 ' A' ' 77' ' ' ILE . 1.7 pp -93.81 53.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.267 -179.037 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.544 ' HA ' HD13 ' A' ' 83' ' ' ILE . 2.5 m-20 -58.72 -31.52 68.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.338 -178.602 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -68.25 -29.17 67.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.349 0.595 . . . . 0.0 110.912 177.62 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.553 ' HG3' ' HZ ' ' A' ' 32' ' ' PHE . 3.9 tpt180 -81.35 -51.63 8.14 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.479 -175.73 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.4 tp -89.55 -22.21 22.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.311 -173.177 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.3 t30 64.13 85.49 0.14 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.063 -177.379 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.544 HD13 ' HA ' ' A' ' 78' ' ' ASN . 2.4 mp -88.87 132.0 34.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.321 176.669 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.566 ' HA3' ' HB1' ' A' ' 11' ' ' ALA . . . -56.9 146.48 35.4 Favored Glycine 0 N--CA 1.452 -0.268 0 O-C-N 123.624 0.577 . . . . 0.0 113.195 -176.88 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.597 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 17.2 tp10 -54.24 -56.03 30.67 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.084 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.705 ' HB2' HG13 ' A' ' 8' ' ' ILE . 11.2 Cg_exo -72.24 -1.53 10.26 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 121.947 1.765 . . . . 0.0 112.993 -177.632 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.523 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.9 mm? -73.71 -28.91 61.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 176.848 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.3 mp -66.18 -45.9 79.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.731 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.8 m -71.75 -34.29 51.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.996 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.517 ' HB2' HD11 ' A' ' 8' ' ' ILE . 36.8 t80 -59.55 -35.81 74.96 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.354 0.597 . . . . 0.0 109.935 175.413 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.523 HD12 HD22 ' A' ' 69' ' ' LEU . 7.1 tt -67.75 -50.52 56.83 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.931 176.987 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.0 mmt85 -54.94 -53.51 54.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.955 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.429 ' O ' HD11 ' A' ' 3' ' ' ILE . 13.0 ttm180 -166.86 115.06 0.84 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.047 0.451 . . . . 0.0 109.935 174.763 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -78.91 120.31 23.33 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.737 -177.864 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.618 ' H ' HG13 ' A' ' 3' ' ' ILE . 26.8 t70 -75.15 -27.73 59.85 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 175.853 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 94.5 mt -99.38 123.57 47.93 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.078 171.992 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.01 -30.36 93.16 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.705 2.27 . . . . 0.0 111.936 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.523 ' HB2' ' HB2' ' A' ' 63' ' ' ARG . 9.2 pt-20 -166.57 122.75 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.173 176.361 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.542 ' HB ' ' HB2' ' A' ' 64' ' ' LEU . 67.3 mt -78.61 113.83 18.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.706 . . . . . . . . 2 2 . 1 . 012 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.8 p -95.03 127.79 41.36 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.167 0.508 . . . . 0.0 111.42 -176.035 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.98 127.57 38.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.484 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 . . . . . 0 C--N 1.32 -0.689 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.638 176.344 . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.522 0.201 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 013 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.891 HG21 ' HB2' ' A' ' 95' ' ' ASP . 42.4 mm -70.75 141.84 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.057 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.5 p -98.24 174.39 6.53 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.357 0.599 . . . . 0.0 112.315 -174.02 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 m -80.74 -164.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.946 174.387 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.7 m -47.89 -20.05 0.28 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.601 0.761 . . . . 0.0 112.567 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -50.17 -30.54 11.59 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.705 0.402 . . . . 0.0 110.947 175.326 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.643 HD11 ' HB2' ' A' ' 90' ' ' TYR . 16.8 tt -58.26 -34.75 50.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.097 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.435 ' HG ' ' HH2' ' A' ' 54' ' ' TRP . 41.5 t -74.19 -39.49 63.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.621 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -74.16 -36.73 64.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 -176.622 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.72 -19.09 65.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.488 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.6 -16.69 62.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.136 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -94.51 -9.03 36.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.436 0.636 . . . . 0.0 110.054 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.25 -8.22 59.71 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.804 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 83' ' ' ILE . 14.3 mt -68.23 135.75 52.47 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 176.252 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.523 ' HE2' ' OD1' ' A' ' 82' ' ' ASN . 61.1 pttt -132.78 133.78 43.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.354 0.597 . . . . 0.0 111.389 -179.017 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.38 166.35 11.66 Favored Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.425 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.423 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 77.5 m-85 -113.12 137.39 51.51 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.799 0.333 . . . . 0.0 110.19 -178.729 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.9 t -105.41 124.45 60.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 174.973 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -142.33 164.04 27.01 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.297 -0.954 . . . . 0.0 112.74 -174.125 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -98.3 116.56 30.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.819 0.342 . . . . 0.0 110.367 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 22' ' ' ASN . . . . . 0.438 ' OD1' HG22 ' A' ' 25' ' ' THR . 26.6 t-20 -90.89 119.81 31.39 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 176.09 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.509 ' HD3' ' OD1' ' A' ' 40' ' ' ASP . 4.4 ptm180 -78.91 -16.0 57.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.341 -172.343 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.87 ' HE2' ' HA ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -72.8 -55.61 6.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.665 0.269 . . . . 0.0 110.399 -179.641 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.45 HG23 ' H ' ' A' ' 27' ' ' ARG . 12.2 t -84.52 -15.42 45.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.001 0.429 . . . . 0.0 110.127 177.497 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.27 22.42 78.54 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.403 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.45 ' H ' HG23 ' A' ' 25' ' ' THR . 1.2 mmp_? -114.64 156.38 24.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.732 0.301 . . . . 0.0 110.406 -176.06 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -96.21 105.29 17.32 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 pp -122.76 178.49 3.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.182 0.515 . . . . 0.0 112.307 -167.254 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.454 HG11 HD22 ' A' ' 81' ' ' LEU . 34.6 m -107.53 148.92 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.856 -179.443 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -152.34 132.13 13.23 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -86.03 -30.23 22.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.188 0.518 . . . . 0.0 109.882 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 m -81.1 112.51 18.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.709 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -28.22 66.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.21 0.528 . . . . 0.0 109.784 177.071 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.95 -13.26 32.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.709 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.3 m -77.64 55.88 1.39 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.904 0.383 . . . . 0.0 111.326 -178.426 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.4 ' HA ' ' HB ' ' A' ' 41' ' ' VAL . 3.3 p90 -145.94 -178.2 6.0 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 176.919 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 167.9 -120.19 0.89 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.724 -0.75 . . . . 0.0 111.966 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.9 ptp -94.93 -25.0 16.73 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.775 0.321 . . . . 0.0 110.404 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.509 ' OD1' ' HD3' ' A' ' 23' ' ' ARG . 3.6 m-20 -89.32 -12.49 40.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.048 178.515 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.4 ' HB ' ' HA ' ' A' ' 37' ' ' PHE . 57.4 t -118.95 109.56 27.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.633 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.5 135.06 49.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.805 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -67.67 -29.95 69.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.426 -175.933 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -69.07 -24.37 64.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.395 0.617 . . . . 0.0 110.068 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.451 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 24.8 m -90.42 11.38 21.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.728 -174.509 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.2 mt -110.04 106.66 21.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.392 174.637 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.1 m -119.05 117.31 33.61 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.712 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 18' ' ' PHE . 45.6 Cg_exo -55.27 132.6 53.19 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.481 2.121 . . . . 0.0 111.056 175.423 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.9 t -62.49 -20.5 64.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.636 0.255 . . . . 0.0 111.428 -175.87 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.48 -23.97 67.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.162 0.506 . . . . 0.0 110.673 177.437 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -116.37 -18.69 10.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.502 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -59.56 -38.89 82.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.511 -177.26 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.9 m -74.48 -10.44 13.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.713 0.292 . . . . 0.0 111.544 -177.573 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.435 ' HH2' ' HG ' ' A' ' 9' ' ' CYS . 99.7 m95 -100.35 116.79 33.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.035 0.445 . . . . 0.0 110.963 -179.471 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.731 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . 18.7 m -86.86 117.51 25.65 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 174.973 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.8 p -79.95 114.94 19.24 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.172 0.511 . . . . 0.0 110.641 -178.055 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.4 m -106.58 -16.33 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.513 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 34.8 mmt180 -146.11 -75.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.55 178.575 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 58' ' ' ARG . 33.0 t70 163.16 -53.81 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 114.081 -1.418 . . . . 0.0 107.854 -176.059 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.467 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 10.9 t70 -75.46 -37.63 60.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.513 -1.221 . . . . 0.0 108.792 175.1 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.7 t -98.92 125.72 52.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.42 178.858 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 67.4 mtt -131.84 144.81 51.17 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 176.14 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.731 ' HG3' ' HB2' ' A' ' 55' ' ' SER . 7.9 ptp180 -115.0 143.67 44.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.68 0.276 . . . . 0.0 110.973 179.228 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.8 116.45 24.9 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.98 121.68 6.63 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.918 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 66' ' ' ARG . 13.9 mtm-85 -70.95 -36.88 72.77 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 122.459 -0.436 . . . . 0.0 111.083 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -57.25 -23.83 50.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.142 -177.287 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -62.7 -42.79 99.82 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.801 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.3 mt -70.73 -28.75 64.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.237 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.515 ' HA ' ' CD2' ' A' ' 73' ' ' LEU . 53.7 mt-30 -68.93 -22.11 64.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.675 177.772 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 71.6 mt -75.44 -37.16 37.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.201 0.524 . . . . 0.0 110.043 172.925 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.7 mt -75.53 -30.9 59.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.879 -175.232 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.515 ' CD2' ' HA ' ' A' ' 70' ' ' GLN . 4.5 pp -64.36 -23.37 67.27 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 121.181 -0.208 . . . . 0.0 111.092 -179.222 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -56.62 -34.5 67.31 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.013 176.549 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.454 ' HB3' HG13 ' A' ' 77' ' ' ILE . 26.7 mp0 -87.77 -36.87 17.06 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.807 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 72.04 7.61 5.82 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.689 171.527 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.588 ' HB ' ' HB3' ' A' ' 80' ' ' ARG . 1.4 pp -85.44 72.0 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.676 0.75 . . . . 0.0 111.811 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.612 ' HA ' HD13 ' A' ' 83' ' ' ILE . 38.0 m-80 -60.65 -38.92 86.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.62 -177.627 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -76.15 -28.67 57.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.696 0.284 . . . . 0.0 110.96 -177.663 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.588 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 61.2 ttt180 -69.32 -54.81 12.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.023 0.439 . . . . 0.0 110.582 -179.335 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 83' ' ' ILE . 20.6 tp -86.83 -15.55 38.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.328 -175.798 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.523 ' OD1' ' HE2' ' A' ' 16' ' ' LYS . 0.9 OUTLIER 69.36 57.76 0.35 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.08 -179.405 . . . . . . . . 3 3 . 1 . 013 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.612 HD13 ' HA ' ' A' ' 78' ' ' ASN . 3.3 mp -73.7 125.78 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 176.419 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.651 ' HA3' HD23 ' A' ' 87' ' ' LEU . . . -64.81 150.2 51.44 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.823 -0.626 . . . . 0.0 113.308 -176.523 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.548 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 46.6 mt-10 -71.22 -45.35 14.05 Favored Pre-proline 0 C--N 1.322 -0.619 0 C-N-CA 122.316 0.246 . . . . 0.0 111.425 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.548 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 51.6 Cg_exo -57.59 -21.9 48.94 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 121.845 1.697 . . . . 0.0 111.726 171.655 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.651 HD23 ' HA3' ' A' ' 84' ' ' GLY . 3.6 mm? -78.45 -37.05 44.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.668 177.28 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.2 mt -66.35 -39.34 89.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.828 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.468 HG22 ' HA ' ' A' ' 86' ' ' PRO . 18.6 m -70.35 -32.78 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.458 178.913 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.643 ' HB2' HD11 ' A' ' 8' ' ' ILE . 13.2 t80 -64.28 -29.15 70.25 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.347 0.594 . . . . 0.0 109.98 176.389 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.1 tp -73.43 -31.3 63.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.08 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -68.0 -62.52 1.37 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 175.92 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 62.3 mtm180 -146.45 168.09 22.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.355 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -124.19 127.5 47.82 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.215 0.531 . . . . 0.0 110.63 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.891 ' HB2' HG21 ' A' ' 3' ' ' ILE . 19.5 t70 -74.32 -30.4 62.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.089 -179.082 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.431 HD12 HG12 ' A' ' 99' ' ' ILE . 95.9 mt -112.04 143.57 29.0 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.179 175.512 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -51.73 -43.47 50.93 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.654 2.236 . . . . 0.0 111.947 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -148.09 114.57 5.96 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 173.59 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.431 HG12 HD12 ' A' ' 96' ' ' LEU . 32.1 mt -72.62 104.03 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 119.464 -0.894 . . . . 0.0 109.532 175.124 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.533 HG23 ' HB3' ' A' ' 63' ' ' ARG . 1.6 m -122.66 120.74 34.6 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 176.712 . . . . . . . . 2 2 . 1 . 013 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -118.43 126.05 51.24 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.143 0.497 . . . . 0.0 110.24 -173.675 . . . . . . . . 1 1 . 1 . 013 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' A' ' 60' ' ' ASP . 13.4 pt20 . . . . . 0 C--N 1.317 -0.843 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.977 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 014 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.651 HG13 ' HB2' ' A' ' 95' ' ' ASP . 48.0 mm -69.56 134.32 30.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.928 0.394 . . . . 0.0 110.509 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.8 p -92.94 -175.2 3.81 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.394 -176.657 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.453 ' O ' HG22 ' A' ' 8' ' ' ILE . 9.2 t -78.97 -168.36 1.43 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.478 176.564 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.6 m -49.7 -22.36 1.35 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.541 0.736 . . . . 0.0 112.414 -176.312 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.33 -24.26 7.24 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 122.756 0.423 . . . . 0.0 111.38 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.611 HD11 ' HB2' ' A' ' 90' ' ' TYR . 15.1 tt -59.7 -50.89 78.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.54 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.524 ' HB2' ' CH2' ' A' ' 54' ' ' TRP . 26.6 p -75.39 -29.77 59.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.068 0.461 . . . . 0.0 110.008 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -62.64 -39.04 92.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.761 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.92 -30.42 70.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.192 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.633 ' HB2' HD11 ' A' ' 87' ' ' LEU . . . -71.62 -34.91 70.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.387 0.613 . . . . 0.0 110.266 177.6 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -76.72 -17.71 58.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.241 177.038 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.25 6.44 48.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.566 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.1 mt -67.01 160.15 27.12 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 177.246 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HB3' ' NZ ' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -129.79 143.28 50.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.79 0.329 . . . . 0.0 110.96 -178.13 . . . . . . . . 3 3 . 1 . 014 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.38 151.66 7.9 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.941 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -114.04 116.47 29.22 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.427 HG12 ' CD2' ' A' ' 28' ' ' TYR . 2.5 t -95.99 123.99 48.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -176.805 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -141.32 -179.49 18.58 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.24 -175.003 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.528 ' O ' HG21 ' A' ' 41' ' ' VAL . 85.0 t80 -95.97 135.78 37.27 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.767 0.318 . . . . 0.0 110.727 -177.743 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -108.87 117.25 33.71 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 175.213 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -69.49 -29.36 66.98 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -173.152 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -70.45 -49.81 44.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.609 0.242 . . . . 0.0 111.357 -177.946 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.9 p -80.71 -21.16 41.45 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.927 0.394 . . . . 0.0 110.901 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.55 27.4 67.58 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.149 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.435 ' HG3' HG23 ' A' ' 29' ' ' ILE . 16.5 ptm180 -136.2 166.37 23.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.987 0.422 . . . . 0.0 111.076 -176.142 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.427 ' CD2' HG12 ' A' ' 19' ' ' VAL . 6.0 t80 -96.47 115.16 26.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.314 -178.937 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.435 HG23 ' HG3' ' A' ' 27' ' ' ARG . 2.6 pp -127.77 170.31 17.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.983 0.42 . . . . 0.0 112.033 -171.542 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.652 HG11 HD23 ' A' ' 81' ' ' LEU . 61.5 t -98.02 133.0 41.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.146 0.498 . . . . 0.0 111.43 -177.286 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -124.02 168.96 12.14 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 173.9 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -118.37 -4.18 10.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.218 0.532 . . . . 0.0 110.652 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.549 ' HB2' ' HB3' ' A' ' 36' ' ' SER . 6.4 m -103.59 122.15 44.38 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 171.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -64.57 -32.03 73.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.834 0.35 . . . . 0.0 110.978 -178.27 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -107.42 32.18 4.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.456 0.646 . . . . 0.0 110.286 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.549 ' HB3' ' HB2' ' A' ' 33' ' ' SER . 4.6 p -60.13 -42.61 95.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.536 177.884 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.436 ' HB2' HD11 ' A' ' 46' ' ' ILE . 88.8 m-85 -97.77 125.54 42.65 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.489 175.618 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.05 -98.65 2.51 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.252 -0.975 . . . . 0.0 111.833 -178.393 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 21.9 ptp -74.75 -10.95 60.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.326 0.584 . . . . 0.0 109.961 176.38 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.62 -57.86 4.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.503 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 21' ' ' PHE . 60.3 t -135.13 139.67 46.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.422 -177.835 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.75 136.03 57.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.418 0.449 . . . . 0.0 111.155 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -62.15 -20.64 64.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.542 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -68.27 -22.94 64.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.656 176.671 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.7 m -93.03 10.22 32.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.394 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.436 HD11 ' HB2' ' A' ' 37' ' ' PHE . 62.6 mt -112.11 109.77 29.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 175.457 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.0 m -121.41 126.17 26.6 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.215 -172.911 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -55.91 131.24 44.77 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.677 2.251 . . . . 0.0 111.534 175.662 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.482 ' HA ' ' HB3' ' A' ' 52' ' ' PHE . 9.2 t -64.76 -16.07 62.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.776 0.322 . . . . 0.0 111.069 -177.082 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.92 -30.85 71.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.704 177.698 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 51' ' ' GLU . . . . . 0.663 ' HA ' ' HD1' ' A' ' 54' ' ' TRP . 34.2 tt0 -116.85 -16.09 10.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.506 -177.085 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.482 ' HB3' ' HA ' ' A' ' 49' ' ' THR . 67.6 t80 -65.29 -23.12 66.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.227 0.537 . . . . 0.0 110.674 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.597 HG21 ' HB1' ' A' ' 12' ' ' ALA . 35.0 m -79.19 -8.87 11.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.105 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.663 ' HD1' ' HA ' ' A' ' 51' ' ' GLU . 97.0 m95 -101.13 136.24 41.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.511 0.672 . . . . 0.0 111.187 -176.523 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 55' ' ' SER . . . . . 0.482 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 46.1 t -117.92 112.8 20.81 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.678 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.9 t -69.96 121.8 18.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.984 0.421 . . . . 0.0 110.507 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.45 HG11 ' HD3' ' A' ' 63' ' ' ARG . 18.9 m -115.45 3.88 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.004 -178.82 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.544 ' HB2' ' HB ' ' A' ' 61' ' ' VAL . 1.6 mmt180 -161.34 -172.01 3.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.708 178.771 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.87 -47.53 84.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.081 0.467 . . . . 0.0 110.718 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -123.13 -22.4 5.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.389 -177.075 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.544 ' HB ' ' HB2' ' A' ' 58' ' ' ARG . 30.8 t -80.35 119.47 29.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.191 -176.049 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 65.7 mtt -114.35 158.62 21.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.863 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 55' ' ' SER . 29.1 ptt180 -122.13 151.51 40.88 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 64' ' ' LEU . 1.1 tm? -78.07 115.08 17.54 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 173.273 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.74 131.88 10.99 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.151 -174.577 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.2 mtm-85 -69.46 -18.03 63.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.817 0.341 . . . . 0.0 111.472 174.646 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -67.43 -24.4 65.64 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -174.61 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -62.61 -34.92 77.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.214 0.53 . . . . 0.0 110.397 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.5 mt -66.6 -34.08 77.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.72 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.423 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 64.7 mm-40 -60.38 -40.65 91.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.226 -178.96 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 67.6 mt -75.06 -44.0 44.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.998 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 71.9 mt -68.07 -32.88 73.52 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -176.399 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.3 pp -66.16 -26.3 67.36 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.83 0.347 . . . . 0.0 111.059 -178.076 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -68.02 -28.45 67.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.326 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -85.77 -37.97 18.72 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 58.75 55.25 4.77 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.762 0.791 . . . . 0.0 110.446 176.656 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.675 ' HB ' ' HB2' ' A' ' 80' ' ' ARG . 6.9 pt -130.42 49.12 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.184 -0.917 . . . . 0.0 109.542 -176.37 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.56 ' HA ' HD13 ' A' ' 83' ' ' ILE . 25.6 p-10 -53.6 -42.44 67.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.401 -0.818 . . . . 0.0 113.095 -171.993 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -78.46 -29.76 47.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.181 0.515 . . . . 0.0 110.454 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.675 ' HB2' ' HB ' ' A' ' 77' ' ' ILE . 20.8 mtp180 -68.73 -44.02 74.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.103 177.09 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.652 HD23 HG11 ' A' ' 30' ' ' VAL . 2.5 tm? -83.63 -19.42 35.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.024 -178.62 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.492 ' HB2' ' O ' ' A' ' 81' ' ' LEU . 2.9 m-20 77.41 34.82 0.35 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.592 178.587 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.644 HD12 ' HB3' ' A' ' 81' ' ' LEU . 2.5 mp -59.76 121.26 7.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.928 0.394 . . . . 0.0 110.118 176.855 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.598 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -62.64 155.09 41.62 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.285 -0.87 . . . . 0.0 113.496 -176.038 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.55 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 2.0 mp0 -60.47 -47.75 95.47 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 85' ' ' GLU . 20.8 Cg_endo -61.59 -15.98 45.15 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 122.261 1.974 . . . . 0.0 112.746 176.921 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 12' ' ' ALA . 4.1 mm? -72.57 -29.94 63.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.177 178.894 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.5 mp -74.16 -43.81 55.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.199 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 86' ' ' PRO . 19.4 m -65.49 -32.71 59.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.904 0.383 . . . . 0.0 110.425 -178.61 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.611 ' HB2' HD11 ' A' ' 8' ' ' ILE . 85.4 t80 -56.46 -38.24 71.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.981 174.929 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 91' ' ' LEU . 2.9 tm? -73.5 -35.5 65.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.923 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.453 ' HA ' ' NE ' ' A' ' 92' ' ' ARG . 4.0 mmp_? -59.25 -54.29 48.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.085 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.622 ' NH1' ' HA ' ' A' ' 95' ' ' ASP . 3.0 tmm_? -159.95 101.72 1.45 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.064 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -66.56 131.05 45.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.166 0.508 . . . . 0.0 110.039 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.651 ' HB2' HG13 ' A' ' 3' ' ' ILE . 33.5 t70 -84.02 -54.41 4.87 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.544 -179.212 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 2.8 mm? -90.28 128.2 50.22 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 173.163 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 96' ' ' LEU . 52.3 Cg_exo -54.97 -50.79 12.03 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.761 2.307 . . . . 0.0 111.844 -178.958 . . . . . . . . 2 2 . 1 . 014 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -134.94 103.81 5.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.559 176.775 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 61.2 mt -72.68 107.59 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.0 p -96.64 137.46 35.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.547 0.689 . . . . 0.0 112.386 -174.416 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.54 129.71 53.92 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.187 175.495 . . . . . . . . 1 1 . 1 . 014 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 . . . . . 0 C--N 1.317 -0.807 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -176.972 . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 m . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.719 0.295 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 015 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.827 HD11 ' HB2' ' A' ' 93' ' ' ARG . 48.2 mm -75.48 145.13 11.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.163 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.9 p -92.54 178.87 5.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.254 0.549 . . . . 0.0 111.612 -177.045 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.415 ' O ' HG22 ' A' ' 8' ' ' ILE . 23.2 t -87.29 -169.61 2.69 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.698 178.182 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 m -50.76 -21.25 1.55 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.752 0.821 . . . . 0.0 112.327 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.62 -27.48 11.43 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 122.868 0.467 . . . . 0.0 111.354 177.492 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.589 HD11 ' HB2' ' A' ' 90' ' ' TYR . 13.7 tt -56.54 -36.48 48.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-O 121.043 0.449 . . . . 0.0 110.969 178.388 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.9 t -74.38 -32.16 62.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.623 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -74.19 -39.43 63.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.356 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.66 -30.32 71.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.443 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.484 ' HB1' HG21 ' A' ' 53' ' ' VAL . . . -67.08 -32.63 73.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.174 0.511 . . . . 0.0 110.593 177.183 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -76.12 -25.24 55.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.986 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.71 14.01 9.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.263 -175.092 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.3 mt -76.33 151.05 36.8 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 176.668 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.522 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 8.3 ptpp? -125.04 147.52 48.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.97 0.414 . . . . 0.0 111.244 -178.545 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.82 146.72 6.92 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.203 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -111.64 118.93 37.02 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.47 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 3.0 t -93.7 131.16 41.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -175.257 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.607 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -137.86 160.08 25.19 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.072 -176.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -91.82 134.16 35.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.929 0.395 . . . . 0.0 110.616 -178.015 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -106.51 111.23 23.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.684 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -76.34 -8.94 58.18 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -174.062 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -81.02 -45.03 17.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.094 0.473 . . . . 0.0 110.376 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.1 p -92.19 -20.71 20.91 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.057 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.27 34.2 46.69 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.118 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -137.13 170.19 16.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.96 0.409 . . . . 0.0 111.022 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -105.4 113.96 27.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.332 -176.666 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.463 ' HA ' ' OE1' ' A' ' 75' ' ' GLN . 2.4 pp -122.68 158.83 26.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.962 0.411 . . . . 0.0 112.084 -172.516 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.47 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 24.5 t -97.61 125.25 50.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.538 -178.081 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -113.6 141.1 47.6 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.102 176.76 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.9 12.0 32.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.56 0.695 . . . . 0.0 109.827 177.109 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 m -136.04 106.37 6.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.297 177.961 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -61.19 -30.52 70.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.07 0.462 . . . . 0.0 111.247 -177.235 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -79.49 15.57 1.26 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.038 -173.921 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 61.2 p -96.91 -6.22 36.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.064 0.459 . . . . 0.0 110.33 178.448 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -140.97 118.81 11.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.545 175.295 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.75 -90.61 2.08 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.014 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -106.04 11.11 31.88 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.176 0.512 . . . . 0.0 109.984 178.345 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -84.02 9.47 12.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.663 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.404 HG22 ' HB2' ' A' ' 45' ' ' SER . 11.6 p -162.44 152.86 3.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.2 140.13 56.08 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 175.787 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -61.03 -32.38 71.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.065 0.459 . . . . 0.0 110.57 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.58 -15.8 63.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.919 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.607 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 67.0 m -94.07 -1.17 54.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.122 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.2 mt -105.21 103.18 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 169.887 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.4 m -129.19 123.6 21.76 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.891 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -56.73 133.67 59.51 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.464 2.109 . . . . 0.0 110.901 173.55 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.534 ' HA ' ' HB3' ' A' ' 52' ' ' PHE . 9.6 t -63.39 -17.56 62.76 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -175.613 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -62.44 -47.39 84.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.169 0.509 . . . . 0.0 109.884 175.766 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -88.41 -17.12 31.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.93 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.534 ' HB3' ' HA ' ' A' ' 49' ' ' THR . 63.4 t80 -63.2 -26.06 68.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 -178.097 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.484 HG21 ' HB1' ' A' ' 12' ' ' ALA . 11.5 m -87.03 -5.81 10.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.995 -178.385 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -112.36 119.61 38.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.1 0.476 . . . . 0.0 111.43 -177.548 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.2 t -99.89 114.04 27.0 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.694 175.529 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.7 p -67.16 117.17 8.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.207 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.412 HG11 ' HD3' ' A' ' 63' ' ' ARG . 25.1 m -109.49 -4.9 10.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.566 -177.787 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.477 ' HB3' HG12 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -164.86 -151.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.587 . . . . . . . . 3 3 . 1 . 015 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.41 ' H ' ' HG3' ' A' ' 58' ' ' ARG . 29.8 t70 -58.17 -59.28 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.336 -173.746 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -127.21 -21.86 3.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.887 0.375 . . . . 0.0 111.143 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.477 HG12 ' HB3' ' A' ' 58' ' ' ARG . 8.9 p -71.98 123.82 27.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-O 121.75 0.786 . . . . 0.0 111.578 -177.49 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 59.1 mtt -117.0 155.13 29.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.087 176.175 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.536 ' HG2' HG22 ' A' ' 100' ' ' THR . 30.0 mtp180 -120.55 147.67 44.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.632 0.253 . . . . 0.0 110.694 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -80.58 123.36 28.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.124 -177.917 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -99.33 120.39 6.84 Favored Glycine 0 CA--C 1.519 0.292 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.298 178.253 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -68.1 -18.34 64.62 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.849 0.357 . . . . 0.0 111.578 -178.523 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.78 -24.35 66.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.708 -176.737 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.544 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 1.5 pp0? -56.72 -39.49 74.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.814 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.535 HD12 ' HG3' ' A' ' 68' ' ' GLN . 5.8 mp -65.8 -36.4 83.41 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.922 0.391 . . . . 0.0 110.696 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.619 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 65.7 mt-30 -73.07 -30.98 64.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -177.281 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.5 mt -74.06 -42.47 52.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-O 120.89 0.376 . . . . 0.0 110.165 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 59.4 mt -67.44 -28.25 67.73 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -177.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.2 pp -66.02 -26.28 67.45 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.047 -178.009 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -80.91 -18.12 48.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.999 0.428 . . . . 0.0 110.769 178.607 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.463 ' OE1' ' HA ' ' A' ' 29' ' ' ILE . 5.9 mm-40 -79.59 -36.35 38.25 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.582 -178.851 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 66.42 10.62 7.43 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.245 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.409 ' H ' HG13 ' A' ' 77' ' ' ILE . 1.9 pp -105.15 40.17 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.578 0.704 . . . . 0.0 110.461 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.471 ' HA ' HD13 ' A' ' 83' ' ' ILE . 2.1 m-20 -55.96 -32.86 64.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.49 -177.745 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -69.98 -32.04 70.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.215 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -84.33 -39.15 19.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.881 0.372 . . . . 0.0 110.854 -174.635 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 8.0 tt -76.03 -22.52 55.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.273 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.5 m120 61.16 73.66 0.47 Allowed 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.791 -178.42 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 78' ' ' ASN . 3.0 mp -77.57 132.16 33.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.689 177.586 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.57 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -61.45 148.34 47.0 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.778 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.541 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 43.0 tt0 -63.41 -49.2 79.87 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -179.202 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 85' ' ' GLU . 12.4 Cg_endo -56.97 -19.44 32.34 Favored 'Trans proline' 0 C--N 1.359 1.092 0 C-N-CA 122.263 1.975 . . . . 0.0 112.57 176.374 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.57 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.0 mm? -70.12 -36.39 74.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.039 177.973 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.9 -32.23 69.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.08 0.467 . . . . 0.0 109.855 175.273 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 62.1 t -65.79 -39.73 85.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.957 175.516 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.589 ' HB2' HD11 ' A' ' 8' ' ' ILE . 68.0 t80 -60.28 -32.08 70.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.881 177.022 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 52.0 tp -68.81 -28.09 66.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.335 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -80.24 -65.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.228 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.827 ' HB2' HD11 ' A' ' 3' ' ' ILE . 27.7 mmt180 -142.43 172.52 12.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.549 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.581 ' OE1' ' HA ' ' A' ' 97' ' ' PRO . 5.7 pt20 -146.05 123.59 11.76 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.346 0.594 . . . . 0.0 111.119 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.807 ' HB2' HG21 ' A' ' 3' ' ' ILE . 11.3 t70 -58.48 -50.16 74.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.734 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.3 mt -119.7 117.49 32.58 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.146 174.816 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.581 ' HA ' ' OE1' ' A' ' 94' ' ' GLN . 55.6 Cg_endo -71.52 -24.87 21.77 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.373 2.048 . . . . 0.0 111.871 -178.226 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -112.87 84.57 2.01 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.054 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 66.4 mt -86.94 114.72 26.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.438 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.536 HG22 ' HG2' ' A' ' 63' ' ' ARG . 18.7 p -109.55 149.54 29.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.839 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -133.72 120.17 20.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.581 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 20.1 pm0 . . . . . 0 C--N 1.321 -0.634 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.422 . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 m . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.533 0.206 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 016 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.455 HD11 ' O ' ' A' ' 93' ' ' ARG . 47.2 mm -72.2 149.41 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.17 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.5 p -90.79 -176.67 4.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.951 -176.288 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -75.09 -171.68 1.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -51.88 -23.02 4.3 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.351 0.66 . . . . 0.0 112.067 -177.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -52.36 -26.25 11.86 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.67 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.586 HG13 ' HB2' ' A' ' 86' ' ' PRO . 12.8 tt -58.9 -34.37 52.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 120.908 0.385 . . . . 0.0 110.459 177.732 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.5 m -74.99 -35.76 62.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.116 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -74.0 -34.25 64.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.148 -177.672 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.22 -15.49 62.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.658 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.541 ' HB1' HG21 ' A' ' 53' ' ' VAL . . . -71.47 -15.92 62.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.152 0.501 . . . . 0.0 110.613 176.997 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -79.3 -16.39 56.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.049 178.222 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.32 -15.17 59.54 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.16 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.522 HD13 ' HA ' ' A' ' 12' ' ' ALA . 10.2 mp -65.19 121.2 14.21 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.146 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.64 144.62 43.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.763 -173.36 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.403 ' O ' HG22 ' A' ' 49' ' ' THR . . . 105.66 -173.08 19.91 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.206 -177.932 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.431 ' CZ ' ' HG2' ' A' ' 34' ' ' GLU . 66.9 m-85 -122.45 147.81 45.88 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.941 0.4 . . . . 0.0 110.371 -177.877 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.55 HG12 ' CD1' ' A' ' 28' ' ' TYR . 11.5 t -105.01 124.03 59.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 171.007 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.508 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -124.61 134.18 8.93 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.054 -1.07 . . . . 0.0 112.757 -174.417 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.506 ' HB3' ' HB3' ' A' ' 45' ' ' SER . 83.6 t80 -80.4 102.85 9.88 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 176.124 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -90.77 109.05 20.24 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.361 -176.313 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.52 ' HG2' HG22 ' A' ' 41' ' ' VAL . 5.9 ptm180 -66.27 -14.03 61.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.603 -178.767 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 24' ' ' LYS . . . . . 0.433 ' HB2' ' HE2' ' A' ' 24' ' ' LYS . 18.0 ttmm -75.31 -35.67 61.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.009 0.433 . . . . 0.0 110.25 -178.338 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.2 p -100.89 -22.14 14.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.672 175.682 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.79 18.21 66.14 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.797 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 27' ' ' ARG . 49.0 mtt180 -140.32 164.98 28.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 110.971 -175.045 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.55 ' CD1' HG12 ' A' ' 19' ' ' VAL . 3.6 m-85 -77.31 135.67 38.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.613 173.37 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 pp -132.59 160.03 42.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.714 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -82.71 135.26 25.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.274 0.559 . . . . 0.0 110.434 176.934 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.546 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 1.1 tpm_? -138.03 132.44 32.18 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.034 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -116.23 10.48 14.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.16 0.505 . . . . 0.0 110.479 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.584 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 7.1 m -118.52 116.66 27.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.869 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.431 ' HG2' ' CZ ' ' A' ' 18' ' ' PHE . 34.3 mt-10 -69.75 -27.69 65.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.331 -176.675 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -100.89 13.34 35.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.59 -177.813 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.584 ' HB2' ' HB2' ' A' ' 33' ' ' SER . 5.0 t -55.83 -58.65 6.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.081 -172.151 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -89.34 138.46 31.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.778 0.323 . . . . 0.0 110.872 -174.738 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.74 -94.25 0.73 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.996 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.65 -3.19 3.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.655 0.264 . . . . 0.0 111.285 178.756 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.518 ' O ' ' HD3' ' A' ' 23' ' ' ARG . 31.4 t70 -65.64 -46.11 80.48 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 174.211 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.52 HG22 ' HG2' ' A' ' 23' ' ' ARG . 49.7 t -106.33 136.07 42.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.785 177.016 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.51 141.93 56.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.731 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -73.27 -18.85 61.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.885 177.374 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.42 -16.04 63.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.112 176.246 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.508 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 49.8 m -91.57 1.21 57.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.715 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.8 mt -99.8 118.39 46.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.245 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.2 m -137.41 124.6 13.87 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.519 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.47 132.97 47.34 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.569 2.179 . . . . 0.0 111.194 177.712 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.472 HG23 ' HB3' ' A' ' 15' ' ' LEU . 10.0 t -65.33 -25.06 67.44 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -173.024 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.0 t -70.87 -30.4 66.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.926 0.393 . . . . 0.0 110.288 177.173 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -90.54 -32.16 16.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.253 0.549 . . . . 0.0 110.185 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -58.33 -29.92 66.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.908 -175.471 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.541 HG21 ' HB1' ' A' ' 12' ' ' ALA . 19.0 m -77.84 -20.34 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.792 0.33 . . . . 0.0 111.353 -177.667 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.407 ' HB3' ' HB3' ' A' ' 62' ' ' MET . 98.0 m95 -102.83 136.71 42.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.943 0.401 . . . . 0.0 110.934 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.7 m -114.63 105.89 13.59 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.898 174.373 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -71.3 115.26 10.25 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.8 m -123.22 -30.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -171.819 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.3 ttt-85 -147.58 124.34 11.2 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.179 -172.257 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 51.82 -102.61 0.13 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.627 0.58 . . . . 0.0 111.698 178.528 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -127.44 21.35 6.62 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.793 ' HA ' ' HA ' ' A' ' 102' ' ' GLN . 5.2 t -102.03 118.16 48.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.499 -176.828 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.407 ' HB3' ' HB3' ' A' ' 54' ' ' TRP . 2.5 mpp? -106.68 128.12 53.93 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 177.086 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.56 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 3.6 ptm180 -100.11 147.71 25.37 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 119.754 -0.778 . . . . 0.0 109.693 178.458 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -70.3 113.63 7.65 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.87 94.95 1.0 Allowed Glycine 0 N--CA 1.441 -1.018 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.14 -15.76 4.19 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.976 0.417 . . . . 0.0 112.051 -176.276 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.88 -24.43 66.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.132 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.471 ' HG3' HD12 ' A' ' 69' ' ' LEU . 1.6 pp0? -59.28 -38.46 80.23 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.696 0.284 . . . . 0.0 110.741 -178.928 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.471 HD12 ' HG3' ' A' ' 68' ' ' GLN . 3.9 mp -73.61 -33.29 64.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.746 0.308 . . . . 0.0 110.274 -176.866 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.461 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 82.3 mm-40 -67.89 -33.98 75.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.159 178.29 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.7 mt -75.37 -46.79 37.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.113 176.537 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 25.4 mt -67.93 -25.06 65.28 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -173.886 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.4 pp -62.95 -24.46 67.89 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.537 -177.921 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.407 ' N ' HD12 ' A' ' 73' ' ' LEU . 35.0 mt-10 -74.78 -18.91 60.4 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.034 0.445 . . . . 0.0 110.464 176.107 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -100.72 87.61 3.38 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 172.308 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -70.31 -8.26 49.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.989 -171.761 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.401 ' H ' HG13 ' A' ' 77' ' ' ILE . 1.3 pp -79.79 67.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.3 0.571 . . . . 0.0 112.275 -177.656 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.525 ' HA ' HD13 ' A' ' 83' ' ' ILE . 52.7 m-80 -64.92 -27.87 69.14 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 174.002 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -60.45 -33.24 72.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.858 -1.065 . . . . 0.0 110.941 174.878 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -87.42 -54.01 4.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.3 -172.417 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.7 tp -79.12 -19.88 50.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.903 -176.851 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.1 t30 63.83 85.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.125 -177.629 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.525 HD13 ' HA ' ' A' ' 78' ' ' ASN . 2.7 mp -94.42 132.68 37.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 174.587 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.611 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -56.22 148.03 29.91 Favored Glycine 0 C--N 1.33 0.209 0 CA-C-N 116.202 -0.454 . . . . 0.0 113.394 -175.678 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.452 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 4.0 mp0 -57.79 -52.75 72.12 Favored Pre-proline 0 C--N 1.324 -0.506 0 C-N-CA 122.463 0.305 . . . . 0.0 111.683 -178.045 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.586 ' HB2' HG13 ' A' ' 8' ' ' ILE . 20.2 Cg_endo -62.33 -17.3 56.64 Favored 'Trans proline' 0 C--N 1.358 1.051 0 C-N-CA 121.903 1.735 . . . . 0.0 112.349 177.104 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.611 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.0 mm? -70.23 -41.61 73.34 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 175.164 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.53 ' HA ' HD23 ' A' ' 91' ' ' LEU . 8.6 mp -64.69 -31.2 72.31 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.948 173.594 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.594 ' O ' ' HB2' ' A' ' 92' ' ' ARG . 85.3 t -62.77 -34.33 65.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.191 174.511 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -64.17 -36.76 85.12 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 175.518 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' A' ' 88' ' ' LEU . 2.6 mm? -65.4 -23.95 67.09 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.096 177.171 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.594 ' HB2' ' O ' ' A' ' 89' ' ' VAL . 8.5 mmm180 -59.64 -52.39 65.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.471 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.455 ' O ' HD11 ' A' ' 3' ' ' ILE . 13.4 tpt180 -163.14 123.64 2.31 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.538 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -78.08 72.19 4.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.669 0.747 . . . . 0.0 110.114 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.469 ' O ' ' HD3' ' A' ' 97' ' ' PRO . 20.8 t70 -66.26 -46.87 75.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.782 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.715 HD23 HG12 ' A' ' 99' ' ' ILE . 35.4 tp -97.04 103.12 13.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 176.457 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 97' ' ' PRO . . . . . 0.469 ' HD3' ' O ' ' A' ' 95' ' ' ASP . 8.5 Cg_exo -72.18 -24.1 20.46 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.824 2.35 . . . . 0.0 112.248 -176.155 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -128.51 94.72 3.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.49 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.715 HG12 HD23 ' A' ' 96' ' ' LEU . 54.7 mt -94.19 120.38 43.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.557 171.562 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.56 ' HA ' ' HA ' ' A' ' 63' ' ' ARG . 4.4 m -133.41 120.93 21.56 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -127.8 124.65 38.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.153 0.502 . . . . 0.0 111.16 -176.683 . . . . . . . . 1 1 . 1 . 016 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.793 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 30.2 pt20 . . . . . 0 C--N 1.321 -0.66 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.047 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 m . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 120.748 0.308 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 017 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.661 HG13 ' HB2' ' A' ' 95' ' ' ASP . 33.4 mm -81.74 159.9 3.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 4' ' ' THR . . . . . 0.4 ' N ' HG22 ' A' ' 3' ' ' ILE . 35.0 p -92.5 -175.32 3.95 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.076 0.465 . . . . 0.0 111.501 -176.458 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 m -75.04 -170.25 1.09 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.326 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.0 m -51.2 -22.4 2.6 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.065 0.546 . . . . 0.0 111.766 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -51.87 -20.56 2.33 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.717 177.43 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.622 HD11 ' HB2' ' A' ' 90' ' ' TYR . 16.2 tt -55.23 -47.7 77.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.7 p -76.04 -29.65 58.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.032 0.444 . . . . 0.0 110.375 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -63.21 -41.13 99.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.569 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.13 79.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.865 178.315 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.439 ' HB2' HD11 ' A' ' 87' ' ' LEU . . . -66.95 -30.49 70.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.02 0.438 . . . . 0.0 110.851 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -75.01 -28.08 60.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.69 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.06 5.78 39.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.855 -176.69 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.538 HD22 ' O ' ' A' ' 82' ' ' ASN . 58.2 mt -71.36 128.73 36.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.828 0.347 . . . . 0.0 110.869 -179.252 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -114.08 145.21 41.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.971 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.578 ' O ' ' HA ' ' A' ' 48' ' ' PRO . . . 133.12 149.12 6.07 Favored Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -177.301 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -111.46 131.77 54.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.324 0.562 . . . . 0.0 110.942 -175.231 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.0 t -108.82 140.38 27.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.377 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.15 176.22 28.88 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.65 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -111.97 114.44 27.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.907 0.384 . . . . 0.0 110.503 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -87.86 107.12 18.53 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.657 ' HG2' ' HB3' ' A' ' 40' ' ' ASP . 9.8 ptp180 -77.86 -13.13 59.99 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -171.606 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -68.94 -46.63 67.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.1 0.476 . . . . 0.0 109.742 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.0 p -88.07 -25.3 23.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.552 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.89 29.68 50.64 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 -177.947 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -130.24 159.77 35.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 -176.086 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -79.23 141.81 36.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.421 173.996 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.7 pt -129.01 156.74 41.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.965 -176.531 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.79 HG11 ' HG ' ' A' ' 81' ' ' LEU . 59.2 t -117.99 114.93 46.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.528 173.971 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.735 ' HG3' ' H ' ' A' ' 33' ' ' SER . 28.2 tpt180 -123.63 147.0 47.77 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.756 -175.668 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -112.55 9.94 19.53 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.512 0.673 . . . . 0.0 109.777 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.735 ' H ' ' HG3' ' A' ' 31' ' ' ARG . 14.7 m -124.42 118.8 27.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.042 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 34' ' ' GLU . . . . . 0.411 ' O ' ' HD1' ' A' ' 37' ' ' PHE . 43.4 mt-10 -69.3 -22.06 63.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.882 0.373 . . . . 0.0 110.73 178.118 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -80.23 11.7 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.755 -175.872 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.6 m -99.45 -0.95 39.74 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -173.847 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.413 ' HD2' ' O ' ' A' ' 41' ' ' VAL . 4.4 p90 -95.61 132.74 40.45 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.917 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.49 -114.14 3.73 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.905 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.9 mmt -102.97 -10.27 19.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.018 0.437 . . . . 0.0 110.236 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.657 ' HB3' ' HG2' ' A' ' 23' ' ' ARG . 7.1 m-20 -83.27 -60.46 2.14 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.169 -178.778 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.413 ' O ' ' HD2' ' A' ' 37' ' ' PHE . 57.7 t -85.89 114.16 25.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.761 -177.244 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.41 154.37 29.02 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 172.206 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -66.86 -13.91 62.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.726 0.298 . . . . 0.0 110.986 -178.125 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.14 -27.61 66.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.026 0.441 . . . . 0.0 110.219 176.466 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.6 t -85.65 -14.01 46.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.471 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.3 mt -83.11 110.32 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.053 0.454 . . . . 0.0 110.093 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.1 m -136.95 124.59 14.38 Favored Pre-proline 0 C--N 1.318 -0.803 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.679 -179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.578 ' HA ' ' O ' ' A' ' 17' ' ' GLY . 32.1 Cg_exo -57.64 143.15 95.57 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.627 2.218 . . . . 0.0 111.387 175.587 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.43 ' HA ' ' HB3' ' A' ' 52' ' ' PHE . 6.6 t -61.44 -21.51 64.21 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -175.154 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.2 t -62.68 -56.75 14.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.181 0.515 . . . . 0.0 110.08 174.737 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -75.64 -11.62 60.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.75 -178.878 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.43 ' HB3' ' HA ' ' A' ' 49' ' ' THR . 80.7 t80 -75.64 -40.04 56.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.103 -178.757 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.427 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 34.9 m -79.33 -13.32 13.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -175.339 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -96.71 133.29 41.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.979 0.418 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.8 m -118.3 113.49 21.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.311 177.179 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 62' ' ' MET . 17.1 m -76.88 115.02 16.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.353 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.0 m -95.55 -25.09 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.971 0.415 . . . . 0.0 111.05 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -113.38 -73.34 0.67 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.51 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -170.13 -64.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 175.599 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -84.55 -34.82 23.17 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 172.374 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 35.3 t -72.05 108.59 3.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.85 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.403 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 44.7 mtm -111.99 145.14 40.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.948 178.015 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.513 ' HG2' HG22 ' A' ' 100' ' ' THR . 43.1 mtp180 -109.89 148.19 32.01 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.99 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -78.02 113.46 15.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.48 107.56 3.53 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.137 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.535 ' HA ' HD13 ' A' ' 69' ' ' LEU . 2.2 ppt_? -69.91 -18.59 63.4 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.319 -0.518 . . . . 0.0 111.912 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 67' ' ' GLU . . . . . 0.446 ' N ' ' HD2' ' A' ' 66' ' ' ARG . 7.0 mm-40 -63.03 -24.9 68.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.319 0.581 . . . . 0.0 110.531 177.561 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.427 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 10.1 mm-40 -70.34 -41.99 72.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.039 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.535 HD13 ' HA ' ' A' ' 66' ' ' ARG . 7.6 mp -64.45 -28.77 69.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.438 -179.374 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -62.82 -34.43 77.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.798 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 54.2 mt -74.89 -33.14 29.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.185 0.517 . . . . 0.0 110.354 177.925 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.7 mt -74.48 -43.9 53.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.414 -176.486 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 pp -61.05 -24.23 66.05 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -175.572 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -58.6 -34.1 70.73 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.902 0.382 . . . . 0.0 110.439 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -98.21 96.0 7.79 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 175.8 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -79.47 82.62 5.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.243 0.544 . . . . 0.0 112.456 -167.042 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.486 ' HB ' ' HB3' ' A' ' 80' ' ' ARG . 1.0 OUTLIER -149.08 76.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.946 169.842 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -52.95 -44.38 67.05 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.093 -174.697 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -75.94 -36.97 59.16 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.066 -176.733 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.486 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 64.3 ttt180 -71.01 -51.03 27.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.378 . . . . 0.0 110.364 -176.74 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.79 ' HG ' HG11 ' A' ' 30' ' ' VAL . 2.0 tt -68.46 -25.13 64.84 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.203 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.538 ' O ' HD22 ' A' ' 15' ' ' LEU . 3.3 t-20 70.98 76.97 0.18 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.963 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.485 ' CD1' ' HB3' ' A' ' 81' ' ' LEU . 3.1 mp -104.01 125.75 58.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 171.598 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.609 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -59.87 146.62 44.71 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.373 -177.314 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.478 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 30.4 tt0 -62.98 -43.32 81.87 Favored Pre-proline 0 C--N 1.317 -0.822 0 O-C-N 122.913 -0.169 . . . . 0.0 111.366 -179.089 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.533 ' CB ' ' HA ' ' A' ' 8' ' ' ILE . 50.3 Cg_exo -57.58 -19.83 38.88 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 122.006 1.804 . . . . 0.0 112.465 171.386 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.609 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.3 mm? -78.58 -30.36 46.69 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 177.667 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 88' ' ' LEU . . . . . 0.566 ' O ' ' HG2' ' A' ' 92' ' ' ARG . 11.0 mp -64.8 -45.96 84.07 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.495 176.506 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 34.0 m -68.39 -33.21 59.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.263 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.622 ' HB2' HD11 ' A' ' 8' ' ' ILE . 70.3 t80 -62.77 -35.71 80.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.18 175.64 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 91' ' ' LEU . 0.6 OUTLIER -70.52 -35.68 73.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.654 178.034 . . . . . . . . 3 3 . 1 . 017 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 88' ' ' LEU . 10.8 mmp_? -61.42 -57.54 11.8 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.465 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -153.92 137.46 15.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.225 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -81.66 134.28 35.46 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.139 0.495 . . . . 0.0 110.351 -179.538 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.661 ' HB2' HG13 ' A' ' 3' ' ' ILE . 29.2 t70 -86.27 -48.11 8.81 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.786 178.552 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.55 ' O ' HG13 ' A' ' 99' ' ' ILE . 94.1 mt -123.67 106.48 32.15 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.613 176.718 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -63.63 -4.05 6.42 Favored 'Trans proline' 0 N--CA 1.474 0.332 0 C-N-CA 123.159 2.572 . . . . 0.0 112.619 176.094 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -129.12 46.72 2.58 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.522 -175.946 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 96' ' ' LEU . 64.5 mt -71.65 109.43 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.267 0.556 . . . . 0.0 109.528 175.396 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.513 HG22 ' HG2' ' A' ' 63' ' ' ARG . 2.7 p -125.72 152.54 45.17 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.224 -175.869 . . . . . . . . 2 2 . 1 . 017 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -127.81 125.24 39.43 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 174.66 . . . . . . . . 1 1 . 1 . 017 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 . . . . . 0 C--N 1.321 -0.653 0 CA-C-O 121.065 0.46 . . . . 0.0 110.993 -178.301 . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.787 0.327 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 018 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.573 HG13 ' H ' ' A' ' 95' ' ' ASP . 34.2 mm -69.12 141.1 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.722 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.4 p -91.73 -173.81 3.65 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.026 -173.509 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.438 ' O ' HG22 ' A' ' 8' ' ' ILE . 10.6 m -65.41 -172.11 0.1 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.434 -176.303 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 m -52.75 -22.63 5.48 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.421 0.688 . . . . 0.0 112.296 -176.221 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.67 -28.31 14.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.933 178.62 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.606 HD11 ' HB2' ' A' ' 90' ' ' TYR . 15.4 tt -61.0 -39.2 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 120.943 0.401 . . . . 0.0 110.796 177.794 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.7 t -75.17 -33.07 61.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.525 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -72.97 -38.82 66.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.229 -177.335 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.57 -27.9 67.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.763 0.316 . . . . 0.0 111.0 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.72 -17.88 64.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.121 0.486 . . . . 0.0 110.831 178.026 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -90.02 -24.06 21.32 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.124 177.134 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.05 0.93 52.18 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.526 -176.144 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.533 ' HB2' ' HB3' ' A' ' 50' ' ' SER . 50.7 mt -65.15 125.58 25.44 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.119 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -122.0 146.32 47.27 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.911 0.386 . . . . 0.0 110.372 -177.519 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 121.64 148.86 7.95 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -175.377 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -112.09 129.21 56.3 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.815 0.308 . . . . 0.0 110.315 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.36 137.68 32.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.053 0.454 . . . . 0.0 110.41 176.29 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -147.5 145.38 13.97 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.369 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -78.26 114.12 16.85 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -88.66 118.21 28.17 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HG2' ' HB3' ' A' ' 40' ' ' ASP . 3.1 ptm180 -64.76 -24.9 67.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.739 -177.459 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -76.41 -52.14 10.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 111.102 -176.617 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.6 p -80.65 -26.67 37.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.168 0.509 . . . . 0.0 110.878 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.73 25.98 57.27 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.102 178.147 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -133.89 169.23 17.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.043 0.449 . . . . 0.0 111.309 -178.207 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -96.08 107.38 19.68 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.309 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 pp -116.65 158.38 17.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.991 0.424 . . . . 0.0 111.777 -172.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.5 p -104.4 148.71 8.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.432 -178.239 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.51 147.22 23.13 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.57 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -93.82 -5.13 48.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.023 0.439 . . . . 0.0 110.876 -178.775 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 33' ' ' SER . . . . . 0.413 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 16.4 m -119.84 110.48 16.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.44 -174.951 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -62.74 -30.83 71.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.706 174.634 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -70.2 -6.7 36.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.321 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 36' ' ' SER . . . . . 0.413 ' HB2' ' HB2' ' A' ' 33' ' ' SER . 8.7 t -91.74 -1.71 57.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.184 0.516 . . . . 0.0 109.955 -176.953 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -106.66 121.14 43.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.412 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.72 -121.88 1.01 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.955 177.708 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -104.8 -7.22 19.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.901 0.381 . . . . 0.0 110.378 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.402 ' HB3' ' HG2' ' A' ' 23' ' ' ARG . 42.8 m-20 -65.67 -47.98 73.68 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.496 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.6 t -99.41 119.75 47.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.239 176.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.22 145.54 55.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.029 -177.296 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -63.41 -29.49 70.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.558 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -79.67 -18.62 50.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.622 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 98.5 p -89.64 -9.64 48.89 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.987 0.422 . . . . 0.0 110.152 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.2 mt -79.81 102.15 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 174.48 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.8 m -124.46 129.65 24.59 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.565 -177.367 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -55.69 139.69 83.49 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.354 2.036 . . . . 0.0 111.151 173.744 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.518 HG23 ' HB3' ' A' ' 15' ' ' LEU . 7.5 t -59.04 -26.7 64.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.655 0.264 . . . . 0.0 111.375 -177.343 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 50' ' ' SER . . . . . 0.533 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 1.2 p -71.22 -42.89 68.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.061 0.457 . . . . 0.0 110.634 175.611 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -73.27 -23.48 60.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.213 0.53 . . . . 0.0 110.037 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -68.44 -45.09 73.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.3 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.5 m -72.54 -21.83 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.501 -175.117 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.487 ' HD1' ' O ' ' A' ' 50' ' ' SER . 98.9 m95 -91.79 120.75 32.79 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.136 0.493 . . . . 0.0 110.518 178.157 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.8 m -119.65 113.56 20.86 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.692 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.588 ' HA ' ' HA ' ' A' ' 62' ' ' MET . 10.7 t -72.59 127.73 33.44 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.41 -177.852 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.2 m -104.34 0.42 10.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.596 0.713 . . . . 0.0 109.749 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.457 ' HA ' ' HD2' ' A' ' 58' ' ' ARG . 6.1 tpt180 -149.03 -154.14 0.54 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.432 -179.468 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 59' ' ' ASP . . . . . 0.427 ' H ' ' HG3' ' A' ' 58' ' ' ARG . 36.0 t70 -89.56 -36.85 15.1 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.75 178.088 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 60' ' ' ASP . . . . . 0.543 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 7.4 m-20 -126.9 11.7 7.18 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.612 177.414 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.458 HG22 ' HB3' ' A' ' 102' ' ' GLN . 19.5 t -112.01 111.57 36.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.702 0.287 . . . . 0.0 110.304 -177.623 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.588 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 58.5 mtm -115.19 139.2 50.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.833 -177.131 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.576 ' NH2' ' HA2' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -107.45 142.05 37.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.322 176.339 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 64' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 64' ' ' LEU . 1.5 tm? -76.44 117.85 18.52 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 173.996 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 65' ' ' GLY . . . . . 0.576 ' HA2' ' NH2' ' A' ' 63' ' ' ARG . . . -86.28 107.82 3.22 Favored Glycine 0 N--CA 1.443 -0.9 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.123 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.463 ' HB3' ' CE2' ' A' ' 90' ' ' TYR . 24.2 ptt180 -70.12 -27.18 64.36 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 122.496 -0.414 . . . . 0.0 111.241 176.912 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -63.89 -24.07 67.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.389 0.614 . . . . 0.0 109.965 177.966 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -70.45 -40.72 73.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.685 -178.698 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.4 mt -64.2 -29.05 70.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.528 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.416 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 75.9 mt-30 -73.66 -26.1 60.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.889 0.376 . . . . 0.0 110.951 178.679 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 66.6 mt -73.82 -36.55 46.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.534 0.683 . . . . 0.0 109.223 174.472 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 72' ' ' LEU . . . . . 0.788 ' HB3' HD21 ' A' ' 81' ' ' LEU . 79.6 mt -75.42 -25.75 57.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.686 177.662 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.674 HD13 HD21 ' A' ' 91' ' ' LEU . 42.7 tp -54.44 -26.03 28.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.187 -178.539 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -66.03 -18.95 65.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.856 0.36 . . . . 0.0 111.127 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -99.82 111.52 23.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.938 176.971 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -84.46 2.06 42.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.306 -176.582 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.519 ' HB ' ' HB3' ' A' ' 80' ' ' ARG . 1.4 pp -90.27 74.54 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.569 0.699 . . . . 0.0 110.603 176.325 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -63.72 -30.76 71.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.254 -172.334 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -80.71 -35.99 32.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.884 0.373 . . . . 0.0 110.131 -179.031 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.519 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 73.2 ttt180 -69.43 -41.76 75.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.662 0.744 . . . . 0.0 109.592 176.501 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.788 HD21 ' HB3' ' A' ' 72' ' ' LEU . 21.2 tp -72.53 -19.79 61.46 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.311 177.97 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 68.53 27.13 6.28 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.624 -0.717 . . . . 0.0 112.773 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.786 HD13 ' HG ' ' A' ' 81' ' ' LEU . 1.4 mp -77.47 125.46 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.979 0.418 . . . . 0.0 109.934 175.23 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -66.84 164.8 42.52 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.661 -0.7 . . . . 0.0 113.77 -174.171 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 15.1 tp10 -62.61 -51.84 69.46 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 115.586 -0.307 . . . . 0.0 111.549 -179.23 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.538 ' HB2' HG13 ' A' ' 8' ' ' ILE . 16.7 Cg_endo -58.98 -24.36 72.81 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 121.937 1.758 . . . . 0.0 112.052 176.85 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.8 mm? -69.79 -36.48 75.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.764 177.191 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.78 -38.42 83.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.95 176.196 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.72 -41.69 93.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.895 176.312 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.606 ' HB2' HD11 ' A' ' 8' ' ' ILE . 33.4 t80 -62.92 -35.24 79.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.225 178.097 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.674 HD21 HD13 ' A' ' 73' ' ' LEU . 52.3 tp -73.06 -37.21 66.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.782 178.513 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -62.84 -63.73 1.12 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.623 0.249 . . . . 0.0 111.384 176.741 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -148.01 96.88 2.71 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.845 0.355 . . . . 0.0 110.079 -177.88 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 94' ' ' GLN . . . . . 0.449 ' HA ' HD11 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -83.3 133.01 34.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.236 0.541 . . . . 0.0 110.738 -178.905 . . . . . . . . 3 3 . 1 . 018 nuclear build core ' A' A ' 95' ' ' ASP . . . . . 0.573 ' H ' HG13 ' A' ' 3' ' ' ILE . 16.4 t70 -86.33 -42.01 14.05 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.518 178.09 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 96' ' ' LEU . . . . . 0.498 HD22 HG12 ' A' ' 99' ' ' ILE . 3.3 mp -92.07 123.0 64.06 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.498 177.636 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.64 -37.46 28.72 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.302 2.001 . . . . 0.0 111.188 175.204 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -138.17 102.03 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.653 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 99' ' ' ILE . . . . . 0.498 HG12 HD22 ' A' ' 96' ' ' LEU . 59.3 mt -74.68 105.26 3.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 171.656 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.61 120.34 41.23 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.081 0.467 . . . . 0.0 110.751 -173.624 . . . . . . . . 2 2 . 1 . 018 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.71 139.44 53.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.039 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build core ' A' A ' 102' ' ' GLN . . . . . 0.543 ' HA ' ' O ' ' A' ' 60' ' ' ASP . 14.6 pt20 . . . . . 0 C--N 1.321 -0.636 0 CA-C-O 121.117 0.484 . . . . 0.0 111.06 -178.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.45 -0.455 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 0 0 . 1 . 019 nuclear build core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.7 mm -69.18 137.1 24.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.5 p -91.09 -178.12 5.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.413 0.625 . . . . 0.0 112.372 -167.639 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -79.47 -169.87 2.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.314 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.5 m -50.49 -22.75 2.07 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.798 0.839 . . . . 0.0 112.046 -178.44 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -52.1 -28.52 17.96 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 123.089 0.556 . . . . 0.0 111.653 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.646 HD11 ' HB2' ' A' ' 90' ' ' TYR . 14.9 tt -58.49 -37.07 62.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 120.844 0.354 . . . . 0.0 111.125 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.1 t -75.47 -34.73 60.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.04 0.448 . . . . 0.0 110.78 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -74.41 -40.01 62.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.99 -176.684 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.04 -15.78 63.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.791 -177.288 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.69 -23.98 65.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.214 0.531 . . . . 0.0 110.392 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -90.68 -1.43 57.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.612 0.72 . . . . 0.0 110.271 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.12 5.03 51.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.272 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.442 ' HB3' HG23 ' A' ' 49' ' ' THR . 10.5 mp -83.07 139.63 33.12 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.145 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.3 153.6 38.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.953 0.406 . . . . 0.0 111.148 -176.653 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 17' ' ' GLY . . . . . 0.58 ' HA2' ' HB3' ' A' ' 32' ' ' PHE . . . 107.42 164.71 21.86 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.389 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -112.99 146.41 39.11 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.529 HG22 HG12 ' A' ' 30' ' ' VAL . 12.9 t -105.39 128.82 59.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 175.554 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.64 150.52 22.74 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.414 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -93.06 114.91 27.57 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -87.29 137.85 31.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.119 0.485 . . . . 0.0 110.386 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 23' ' ' ARG . . . . . 0.428 ' HE ' ' CG ' ' A' ' 40' ' ' ASP . 36.8 ptt180 -95.09 3.39 54.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.273 0.559 . . . . 0.0 109.569 177.212 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -67.09 -44.11 80.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.064 176.085 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 25' ' ' THR . . . . . 0.534 HG23 ' HG2' ' A' ' 27' ' ' ARG . 9.5 t -131.41 -9.82 3.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.189 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.58 44.65 7.76 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.601 177.192 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 27' ' ' ARG . . . . . 0.534 ' HG2' HG23 ' A' ' 25' ' ' THR . 31.4 mmt180 -127.4 150.91 49.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.772 0.32 . . . . 0.0 110.429 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -89.88 105.24 17.67 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 29' ' ' ILE . . . . . 0.736 HD11 ' HZ ' ' A' ' 37' ' ' PHE . 2.7 pp -117.55 166.35 11.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.617 -169.788 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.529 HG12 HG22 ' A' ' 19' ' ' VAL . 33.7 m -116.29 141.31 34.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.156 176.71 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -168.0 132.88 1.79 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.58 ' HB3' ' HA2' ' A' ' 17' ' ' GLY . 22.2 p90 -94.52 39.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.308 0.575 . . . . 0.0 110.992 -177.238 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.7 t -143.05 109.15 5.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.61 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -67.75 -25.2 65.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.036 0.446 . . . . 0.0 110.964 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -70.89 -10.07 58.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.608 -177.115 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.7 p -62.59 -27.12 68.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.411 -178.131 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.736 ' HZ ' HD11 ' A' ' 29' ' ' ILE . 65.2 m-85 -108.58 -64.53 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 111.147 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.45 -110.81 3.33 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.645 -178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.94 -4.23 56.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.316 0.579 . . . . 0.0 109.91 178.308 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 40' ' ' ASP . . . . . 0.428 ' CG ' ' HE ' ' A' ' 23' ' ' ARG . 24.6 t70 -72.12 -43.86 64.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.573 -177.908 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.6 t -135.27 128.05 48.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.952 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.45 146.1 54.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.861 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -74.68 -8.34 56.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.695 -173.484 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.95 -20.36 52.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.221 0.534 . . . . 0.0 109.756 175.225 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.3 t -83.27 -18.06 40.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.388 176.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.3 mt -91.13 116.77 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.803 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.0 m -122.73 124.8 26.57 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.049 -175.818 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.53 131.93 38.7 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.715 2.277 . . . . 0.0 111.193 175.673 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.442 HG23 ' HB3' ' A' ' 15' ' ' LEU . 13.5 t -63.3 -25.37 68.28 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -173.345 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.3 p -73.1 -24.26 60.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.956 0.408 . . . . 0.0 110.941 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -96.27 -25.64 15.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.277 0.56 . . . . 0.0 109.837 176.468 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -60.36 -36.7 78.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.395 -177.883 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.528 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 27.5 m -70.0 -19.02 22.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.497 -178.369 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -98.24 116.49 30.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.03 0.443 . . . . 0.0 110.135 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.8 t -103.27 112.63 25.6 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.203 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.9 t -69.82 116.67 10.48 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 16.4 m -119.51 9.61 6.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.059 -177.176 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.474 ' HB3' HG12 ' A' ' 61' ' ' VAL . 3.8 ttt180 -163.88 -162.34 0.7 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.941 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -59.46 -63.2 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.843 -175.376 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -127.78 14.96 6.97 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.474 HG12 ' HB3' ' A' ' 58' ' ' ARG . 14.5 p -114.47 130.39 68.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.46 0.648 . . . . 0.0 111.525 -178.389 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 67.8 mtm -116.48 134.9 54.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.673 177.65 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.487 HH21 ' HG2' ' A' ' 98' ' ' GLU . 7.4 ptm180 -95.98 134.8 38.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.224 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -73.01 111.86 8.51 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 175.193 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -96.91 115.15 5.16 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.54 -0.838 . . . . 0.0 111.65 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 66' ' ' ARG . . . . . 0.498 ' HA ' HD13 ' A' ' 69' ' ' LEU . 9.0 ptm180 -69.27 -19.38 63.92 Favored 'General case' 0 C--N 1.317 -0.804 0 O-C-N 122.324 -0.515 . . . . 0.0 111.409 177.842 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.0 pm0 -61.04 -24.82 66.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.125 0.488 . . . . 0.0 110.699 176.647 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.528 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 8.6 mm-40 -70.49 -38.93 74.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.732 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 66' ' ' ARG . 7.6 mp -67.82 -28.95 68.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.414 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 19.5 mm-40 -65.28 -33.16 75.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.207 177.179 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 66.6 mt -70.72 -43.23 77.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.07 0.462 . . . . 0.0 110.206 177.354 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.7 -33.41 75.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.375 0.607 . . . . 0.0 110.003 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 41.7 tp -66.58 -26.59 67.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.719 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 74' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 28.7 mm-40 -73.79 -34.56 64.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.369 175.961 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -65.93 -41.18 91.66 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 171.905 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 78.29 -12.67 1.05 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.901 168.857 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.462 HD11 HG21 ' A' ' 30' ' ' VAL . 1.7 pp -79.6 74.11 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.858 0.837 . . . . 0.0 111.496 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.504 ' HA ' HD13 ' A' ' 83' ' ' ILE . 4.9 t30 -63.08 -38.07 89.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.767 -174.512 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -80.48 -28.97 37.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.659 0.266 . . . . 0.0 111.398 -176.965 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.407 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 19.3 tpt180 -73.59 -51.34 17.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.992 0.425 . . . . 0.0 110.607 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 81' ' ' LEU . 1.7 tm? -73.1 -29.46 62.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.335 178.965 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.5 t30 66.95 80.13 0.22 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.663 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.504 HD13 ' HA ' ' A' ' 78' ' ' ASN . 3.9 mp -94.56 127.78 46.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.302 176.051 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.558 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -58.72 148.58 38.52 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.858 -178.484 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.758 ' HG3' ' HD3' ' A' ' 86' ' ' PRO . 4.4 pt-20 -65.72 -39.37 31.28 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.758 ' HD3' ' HG3' ' A' ' 85' ' ' GLU . 34.9 Cg_endo -66.34 -15.4 47.98 Favored 'Trans proline' 0 C--N 1.361 1.213 0 C-N-CA 121.352 1.368 . . . . 0.0 111.815 174.337 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.6 mm? -77.16 -34.59 56.4 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 176.457 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 99.7 mt -67.5 -38.57 84.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.773 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.2 m -71.48 -33.35 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.646 ' HB2' HD11 ' A' ' 8' ' ' ILE . 49.6 t80 -65.76 -36.29 83.13 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 121.221 0.534 . . . . 0.0 110.404 177.942 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.401 HD12 ' HB3' ' A' ' 69' ' ' LEU . 10.0 tt -64.86 -23.25 67.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.166 177.998 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.587 ' HA ' ' NE ' ' A' ' 92' ' ' ARG . 3.0 mmp_? -88.54 -57.04 3.06 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.748 178.239 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -142.85 152.7 42.44 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -178.287 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -134.75 141.73 46.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.062 178.579 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -96.07 -21.3 18.05 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 175.758 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.9 mt -115.08 115.64 42.92 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.108 172.475 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.63 -44.22 41.53 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 123.009 2.472 . . . . 0.0 112.636 -177.907 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 98' ' ' GLU . . . . . 0.487 ' HG2' HH21 ' A' ' 63' ' ' ARG . 51.6 mt-10 -135.52 118.34 16.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.318 178.042 . . . . . . . . 2 2 . 1 . 019 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 63.8 mt -88.91 104.88 15.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 174.24 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.5 p -101.77 133.64 46.18 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.539 -177.457 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.34 132.58 55.35 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.613 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.087 -175.515 . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 p . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 . . . . . . . . . 0 0 . 1 . 020 nuclear build core ' A' A ' 3' ' ' ILE . . . . . 0.77 HG13 HH11 ' A' ' 93' ' ' ARG . 48.0 mm -77.75 142.51 14.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.116 0.484 . . . . 0.0 110.378 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 41.0 p -91.82 179.8 5.52 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.887 -177.512 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 5' ' ' SER . . . . . 0.429 ' O ' HG22 ' A' ' 8' ' ' ILE . 15.6 m -77.98 -170.45 1.92 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.429 176.552 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.0 m -50.63 -22.06 1.86 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.303 0.641 . . . . 0.0 112.593 -176.55 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.39 -21.84 4.04 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 122.863 0.465 . . . . 0.0 111.455 176.324 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 8' ' ' ILE . . . . . 0.547 HD11 ' HB2' ' A' ' 90' ' ' TYR . 14.1 tt -58.37 -38.21 68.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 111.089 177.166 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 9' ' ' CYS . . . . . 0.477 ' SG ' ' HH2' ' A' ' 54' ' ' TRP . 51.7 t -73.94 -30.49 62.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.296 0.57 . . . . 0.0 110.206 -178.989 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -74.16 -34.09 63.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.749 -177.569 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.45 -20.81 66.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.734 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 12' ' ' ALA . . . . . 0.541 ' HB1' HG21 ' A' ' 53' ' ' VAL . . . -64.99 -26.35 68.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.358 . . . . 0.0 111.352 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -87.21 -18.34 30.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.071 0.462 . . . . 0.0 110.553 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.72 -5.55 43.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.532 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 15' ' ' LEU . . . . . 0.552 HD22 ' HA ' ' A' ' 83' ' ' ILE . 54.0 mt -65.48 156.35 32.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.179 178.2 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 16' ' ' LYS . . . . . 0.525 ' HG2' ' HB2' ' A' ' 82' ' ' ASN . 17.5 ptpt -140.31 147.37 39.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.85 0.357 . . . . 0.0 110.768 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.39 162.82 13.67 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.867 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 18' ' ' PHE . . . . . 0.484 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 81.2 m-85 -114.61 159.55 20.32 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.795 0.331 . . . . 0.0 110.337 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 19' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 15.2 t -119.44 131.66 71.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 173.15 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 20' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -142.0 149.63 21.34 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.973 -176.91 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 21' ' ' PHE . . . . . 0.435 ' HA ' ' HA ' ' A' ' 28' ' ' TYR . 53.2 t80 -90.92 106.44 18.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.872 0.367 . . . . 0.0 110.677 -177.578 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -79.15 106.92 11.53 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 174.985 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -75.21 -16.05 60.51 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -174.972 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -64.84 -52.03 58.88 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -89.02 -18.26 27.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.034 175.776 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.39 44.6 16.55 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.535 177.883 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.8 mtp85 -136.9 149.78 47.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.001 0.429 . . . . 0.0 111.036 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 28' ' ' TYR . . . . . 0.435 ' HA ' ' HA ' ' A' ' 21' ' ' PHE . 7.2 t80 -94.24 101.68 13.67 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 178.233 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 pp -126.82 -180.0 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -168.325 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 30' ' ' VAL . . . . . 0.544 HG22 ' HG3' ' A' ' 75' ' ' GLN . 34.5 m -83.16 141.5 14.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.31 0.576 . . . . 0.0 111.72 -176.658 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 31' ' ' ARG . . . . . 0.481 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 2.5 mmp_? -136.53 132.73 35.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.89 179.182 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 32' ' ' PHE . . . . . 0.53 ' CZ ' ' HG3' ' A' ' 80' ' ' ARG . 93.7 m-85 -111.75 26.75 10.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.855 0.836 . . . . 0.0 109.236 177.63 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.3 t -152.34 114.44 4.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.489 -1.232 . . . . 0.0 109.523 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -70.04 -29.48 66.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.451 0.643 . . . . 0.0 109.505 174.432 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -69.71 -12.71 61.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.713 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.1 t -61.1 -32.41 72.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.809 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 37' ' ' PHE . . . . . 0.623 ' HB2' HD11 ' A' ' 46' ' ' ILE . 56.2 m-85 -117.72 97.65 5.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.133 0.492 . . . . 0.0 110.526 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.53 14.39 7.7 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.675 177.721 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.8 ptp -149.87 135.59 18.49 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 69.17 -56.55 0.54 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.727 0.811 . . . . 0.0 112.414 178.122 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 41' ' ' VAL . . . . . 0.415 ' HB ' ' HB3' ' A' ' 37' ' ' PHE . 30.4 t -76.15 125.52 35.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.516 -176.788 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.82 148.63 40.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.546 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -68.54 -14.12 62.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.167 0.508 . . . . 0.0 110.622 -179.254 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -68.73 -23.17 64.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.295 174.641 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 45' ' ' SER . . . . . 0.439 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 35.2 t -80.83 -0.98 41.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.233 178.834 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 46' ' ' ILE . . . . . 0.623 HD11 ' HB2' ' A' ' 37' ' ' PHE . 60.5 mt -111.89 103.28 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.719 178.104 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 56.2 m -119.53 127.41 26.45 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.687 -178.542 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 48' ' ' PRO . . . . . 0.484 ' HA ' ' HA ' ' A' ' 18' ' ' PHE . 22.1 Cg_endo -62.19 135.73 56.18 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.614 2.209 . . . . 0.0 111.405 175.966 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 49' ' ' THR . . . . . 0.547 ' HA ' ' HB3' ' A' ' 52' ' ' PHE . 9.9 t -63.8 -18.94 64.61 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -174.149 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 m -64.57 -35.51 81.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.021 0.439 . . . . 0.0 110.659 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -99.47 -22.25 15.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.361 0.6 . . . . 0.0 110.174 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 52' ' ' PHE . . . . . 0.547 ' HB3' ' HA ' ' A' ' 49' ' ' THR . 68.8 t80 -63.6 -24.0 67.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.983 -175.146 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 53' ' ' VAL . . . . . 0.541 HG21 ' HB1' ' A' ' 12' ' ' ALA . 10.9 m -85.15 -2.19 7.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.73 0.3 . . . . 0.0 111.379 -177.366 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 54' ' ' TRP . . . . . 0.477 ' HH2' ' SG ' ' A' ' 9' ' ' CYS . 88.7 m95 -108.48 120.89 43.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.006 0.432 . . . . 0.0 110.764 -178.582 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.5 m -112.05 128.67 56.26 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.419 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 56' ' ' SER . . . . . 0.525 ' HA ' ' HG2' ' A' ' 62' ' ' MET . 19.8 m -70.54 115.73 10.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.036 -178.069 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 57' ' ' VAL . . . . . 0.546 HG21 ' HG3' ' A' ' 63' ' ' ARG . 33.5 m -113.31 -1.04 9.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.371 0.605 . . . . 0.0 110.025 176.952 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 58' ' ' ARG . . . . . 0.465 ' HB3' ' HB ' ' A' ' 61' ' ' VAL . 9.8 tpt180 -148.62 -161.9 1.44 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -178.406 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -67.3 -62.85 1.22 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.772 0.32 . . . . 0.0 110.765 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -112.92 -22.6 10.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.337 0.589 . . . . 0.0 109.842 176.798 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 61' ' ' VAL . . . . . 0.465 ' HB ' ' HB3' ' A' ' 58' ' ' ARG . 31.9 t -70.88 115.33 10.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.119 -177.163 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 62' ' ' MET . . . . . 0.525 ' HG2' ' HA ' ' A' ' 56' ' ' SER . 68.4 mtm -114.06 142.3 46.36 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.073 177.949 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 63' ' ' ARG . . . . . 0.546 ' HG3' HG21 ' A' ' 57' ' ' VAL . 26.8 mtm180 -101.83 161.89 13.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.812 0.339 . . . . 0.0 110.562 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.42 112.28 4.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.265 176.413 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.83 95.66 1.39 Allowed Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -65.79 -15.75 63.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.002 0.43 . . . . 0.0 111.134 -175.567 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.0 -23.02 66.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.142 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 68' ' ' GLN . . . . . 0.573 ' HG3' HD12 ' A' ' 69' ' ' LEU . 4.0 pp0? -58.5 -31.82 68.23 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.876 -178.038 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 69' ' ' LEU . . . . . 0.573 HD12 ' HG3' ' A' ' 68' ' ' GLN . 6.3 mp -67.27 -33.57 75.58 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.937 0.398 . . . . 0.0 110.572 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 70' ' ' GLN . . . . . 0.581 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 89.0 mm-40 -67.55 -31.05 70.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.386 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 63.6 mt -76.74 -40.68 32.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 176.383 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.0 mt -63.48 -30.97 72.01 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -176.837 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 73' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.5 pp -58.64 -22.52 56.83 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 111.806 0.298 . . . . 0.0 111.806 -176.778 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -58.36 -39.13 78.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.766 0.317 . . . . 0.0 111.123 174.966 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 75' ' ' GLN . . . . . 0.544 ' HG3' HG22 ' A' ' 30' ' ' VAL . 14.8 mm100 -121.21 95.8 4.84 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 178.674 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -82.58 86.64 6.77 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -173.922 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 77' ' ' ILE . . . . . 0.484 ' HB ' ' CB ' ' A' ' 80' ' ' ARG . 1.1 pp -148.99 89.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.388 0.613 . . . . 0.0 111.181 177.752 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 78' ' ' ASN . . . . . 0.648 ' HA ' HD13 ' A' ' 83' ' ' ILE . 52.8 m-80 -72.6 -35.16 67.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.204 -175.85 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.69 -28.97 62.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.995 0.426 . . . . 0.0 110.215 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 80' ' ' ARG . . . . . 0.53 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 11.5 tpt180 -70.22 -52.91 19.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.779 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 81' ' ' LEU . . . . . 0.471 ' HB2' ' CD1' ' A' ' 83' ' ' ILE . 76.6 mt -83.74 -13.51 53.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.847 -178.397 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 82' ' ' ASN . . . . . 0.525 ' HB2' ' HG2' ' A' ' 16' ' ' LYS . 0.9 OUTLIER 65.45 48.02 2.15 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 -178.781 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 83' ' ' ILE . . . . . 0.648 HD13 ' HA ' ' A' ' 78' ' ' ASN . 4.0 mp -65.08 127.95 26.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.694 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 84' ' ' GLY . . . . . 0.567 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -62.88 145.91 50.12 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.871 -177.898 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 85' ' ' GLU . . . . . 0.53 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 44.0 mt-10 -62.13 -45.24 90.96 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 86' ' ' PRO . . . . . 0.557 ' HA ' HG22 ' A' ' 89' ' ' VAL . 52.6 Cg_exo -56.39 -20.9 34.62 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.207 1.938 . . . . 0.0 112.612 173.741 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 87' ' ' LEU . . . . . 0.567 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 2.7 mm? -76.04 -29.76 58.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.941 0.4 . . . . 0.0 110.079 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.7 mp -73.17 -43.23 61.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.686 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 89' ' ' VAL . . . . . 0.557 HG22 ' HA ' ' A' ' 86' ' ' PRO . 29.0 m -69.4 -31.98 51.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.734 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 90' ' ' TYR . . . . . 0.547 ' HB2' HD11 ' A' ' 8' ' ' ILE . 46.4 t80 -60.23 -28.06 67.71 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.003 0.43 . . . . 0.0 110.493 176.996 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 91' ' ' LEU . . . . . 0.449 HD13 HD22 ' A' ' 69' ' ' LEU . 62.9 tp -70.35 -30.73 67.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.682 178.423 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 92' ' ' ARG . . . . . 0.651 ' HE ' ' HA ' ' A' ' 92' ' ' ARG . 1.6 mmp_? -63.66 -55.49 23.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.144 0.497 . . . . 0.0 109.772 177.995 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 93' ' ' ARG . . . . . 0.77 HH11 HG13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -157.34 145.53 19.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.713 174.97 . . . . . . . . 3 3 . 1 . 020 nuclear build core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -92.48 157.32 16.62 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.844 0.354 . . . . 0.0 111.001 -178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -96.76 -52.06 4.05 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.346 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.1 mp -134.45 146.54 59.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.153 175.969 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.68 -27.6 12.54 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.482 2.121 . . . . 0.0 111.213 173.106 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -91.95 47.79 1.38 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.023 -176.513 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.8 mm -71.6 104.06 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 170.807 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 100' ' ' THR . . . . . 0.42 ' CG2' ' HG2' ' A' ' 63' ' ' ARG . 3.0 p -126.04 138.27 53.71 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.387 -167.951 . . . . . . . . 2 2 . 1 . 020 nuclear build core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -121.48 125.64 47.33 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.633 174.505 . . . . . . . . 1 1 . 1 . 020 nuclear build core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 . . . . . 0 C--N 1.321 -0.635 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.706 . . . . . . . . 0 0 . 1 . 001 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 120.872 0.368 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 m -95.03 166.6 11.85 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.368 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.54 HD13 ' HB ' ' A' ' 89' ' ' VAL . 39.4 mm -70.71 136.6 25.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.806 0.336 . . . . 0.0 110.242 -177.868 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.441 HG21 ' HG3' ' A' ' 86' ' ' PRO . 41.5 p -93.1 -179.99 5.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.729 -175.7 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -81.56 -170.6 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.863 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.9 m -51.52 -23.73 4.41 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.324 0.65 . . . . 0.0 112.307 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -52.39 -20.28 2.7 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 122.607 0.363 . . . . 0.0 111.732 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.552 HD11 ' HB2' ' A' ' 90' ' ' TYR . 17.0 tt -53.24 -33.89 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.1 175.762 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.2 t -65.78 -38.31 88.66 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.161 0.505 . . . . 0.0 110.744 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.45 ' HA ' ' OE1' ' A' ' 10' ' ' GLN . 11.9 mm-40 -74.08 -33.41 63.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.9 -177.318 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.69 -15.73 53.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.802 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.75 -15.77 61.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.996 0.427 . . . . 0.0 110.932 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -84.27 -19.8 33.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.477 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.87 -28.47 68.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.45 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 mp -62.04 128.73 37.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.166 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -132.41 147.96 52.4 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.882 0.372 . . . . 0.0 111.21 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.94 154.88 7.84 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.245 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -110.62 116.86 32.08 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.477 ' HB ' HG22 ' A' ' 30' ' ' VAL . 8.4 p -97.69 133.34 39.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-O 120.888 0.375 . . . . 0.0 110.474 -177.55 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.41 151.87 24.01 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.044 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -89.9 113.6 25.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.706 0.288 . . . . 0.0 110.322 -177.565 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -94.11 134.61 36.36 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.41 ' HD3' ' OD1' ' A' ' 40' ' ' ASP . 4.8 ptm180 -83.2 -4.98 58.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.341 -177.847 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -75.23 -46.64 32.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.926 0.393 . . . . 0.0 110.649 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.5 p -105.99 -12.47 15.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.63 47.54 48.63 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.584 178.541 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.543 ' HG3' HG23 ' A' ' 29' ' ' ILE . 5.7 ptp180 -149.65 161.92 41.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.128 0.489 . . . . 0.0 111.476 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -86.25 106.15 17.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.403 -178.665 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.543 HG23 ' HG3' ' A' ' 27' ' ' ARG . 2.7 pp -117.86 155.45 19.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.781 0.324 . . . . 0.0 111.617 -173.403 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.561 HG11 HD21 ' A' ' 81' ' ' LEU . 52.1 t -104.9 129.06 58.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.946 0.403 . . . . 0.0 111.479 -177.81 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 60.9 mmt-85 -126.85 169.5 13.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.687 175.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -114.18 0.52 14.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.175 0.512 . . . . 0.0 110.462 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.8 m -121.21 112.03 18.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.411 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.73 -23.08 63.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.289 0.566 . . . . 0.0 110.327 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -80.82 -0.43 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.861 -176.022 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 76.2 p -78.59 -23.22 46.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.797 0.332 . . . . 0.0 111.417 -174.393 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -107.05 130.48 54.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.22 -175.53 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.69 -109.68 2.93 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.03 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -95.43 -3.58 46.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.972 0.415 . . . . 0.0 110.774 -176.292 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.41 ' OD1' ' HD3' ' A' ' 23' ' ' ARG . 10.4 m-20 -80.07 -13.48 59.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.578 -178.128 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.1 t -134.59 131.63 54.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.231 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.55 126.74 30.46 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 175.771 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -66.0 -23.57 66.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.0 0.429 . . . . 0.0 111.084 -175.181 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -68.52 -22.6 64.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.896 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.7 m -89.83 -3.97 57.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.075 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.3 mt -94.44 116.47 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.126 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.403 ' O ' HG12 ' A' ' 19' ' ' VAL . 28.4 m -141.6 134.74 14.29 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.856 -176.049 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -59.09 123.85 14.38 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.432 2.088 . . . . 0.0 111.09 172.627 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.595 HG21 HD22 ' A' ' 81' ' ' LEU . 11.9 t -60.55 -18.15 50.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.504 -178.047 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.2 m -59.31 -40.35 85.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.99 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -107.11 -7.82 16.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.191 0.519 . . . . 0.0 110.448 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -65.83 -31.44 72.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.826 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.541 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 28.7 m -76.89 -11.37 13.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.746 -177.938 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -95.9 123.12 39.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.657 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.3 m -111.11 107.75 17.21 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.124 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' A' ' 62' ' ' MET . 0.6 OUTLIER -73.28 117.66 15.29 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.244 0.545 . . . . 0.0 110.932 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.566 HG11 ' HD3' ' A' ' 63' ' ' ARG . 29.3 m -99.84 -22.95 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.49 0.662 . . . . 0.0 110.178 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.589 ' HB2' ' HB ' ' A' ' 61' ' ' VAL . 3.9 mpt_? -122.63 -168.22 1.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 169.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -63.43 -62.84 1.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.745 0.307 . . . . 0.0 111.036 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.617 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 19.8 m-20 -106.5 7.53 30.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.521 -175.947 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.589 ' HB ' ' HB2' ' A' ' 58' ' ' ARG . 18.5 t -105.44 108.72 25.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.748 0.308 . . . . 0.0 110.526 -178.67 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.491 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 69.1 mtm -109.16 141.91 40.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.566 ' HD3' HG11 ' A' ' 57' ' ' VAL . 76.2 mtp180 -110.96 136.09 50.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.512 175.856 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.503 ' HB2' ' HB ' ' A' ' 99' ' ' ILE . 0.5 OUTLIER -76.76 113.99 15.02 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.785 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.76 99.5 2.49 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.508 ' HA ' HD13 ' A' ' 69' ' ' LEU . 26.4 ptt180 -68.78 -15.3 63.47 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.39 -0.476 . . . . 0.0 111.905 -175.235 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -63.42 -23.11 67.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.664 0.269 . . . . 0.0 110.885 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.541 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 16.1 mm-40 -60.35 -31.11 70.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.074 0.464 . . . . 0.0 110.305 177.433 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 66' ' ' ARG . 9.9 mp -62.31 -27.64 69.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.057 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.46 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 74.5 mt-30 -66.38 -29.19 69.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.928 0.394 . . . . 0.0 110.641 178.468 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 63.8 mt -69.75 -32.89 53.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.415 0.626 . . . . 0.0 109.541 176.235 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 44.8 mt -75.22 -31.37 60.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.532 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.46 ' HB3' ' O ' ' A' ' 70' ' ' GLN . 56.9 tp -60.73 -32.38 71.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.395 175.404 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 31.4 mm-40 -60.66 -35.68 76.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.318 175.285 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -77.46 -34.28 54.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.486 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 63.6 t30 68.33 15.97 9.27 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.32 0.581 . . . . 0.0 111.504 172.365 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.42 ' O ' HD12 ' A' ' 77' ' ' ILE . 1.3 pp -111.05 86.92 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.854 0.835 . . . . 0.0 111.423 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.589 ' HA ' HD13 ' A' ' 83' ' ' ILE . 18.8 m120 -71.76 -38.96 70.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.977 -173.78 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -79.72 -29.63 40.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.017 0.437 . . . . 0.0 110.636 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.408 ' HB3' HD13 ' A' ' 77' ' ' ILE . 65.5 ttt180 -66.82 -47.62 71.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.334 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.595 HD22 HG21 ' A' ' 49' ' ' THR . 51.4 mt -77.76 -20.16 53.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.102 177.041 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 62.5 t30 64.82 62.47 0.75 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.478 0.656 . . . . 0.0 110.491 -176.82 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.589 HD13 ' HA ' ' A' ' 78' ' ' ASN . 3.9 mp -80.13 118.49 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.644 175.367 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -62.33 155.82 39.31 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.724 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.426 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 45.0 mt-10 -63.52 -42.94 76.69 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 111.714 0.265 . . . . 0.0 111.714 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.441 ' HG3' HG21 ' A' ' 4' ' ' THR . 76.2 Cg_exo -52.74 -28.21 37.12 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 122.089 1.859 . . . . 0.0 112.255 170.733 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.526 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 0.9 OUTLIER -77.35 -37.9 51.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.118 179.149 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.56 -41.75 99.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.728 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.54 ' HB ' HD13 ' A' ' 3' ' ' ILE . 30.6 m -74.86 -32.61 28.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.784 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.552 ' HB2' HD11 ' A' ' 8' ' ' ILE . 9.3 t80 -62.99 -25.78 68.54 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.222 0.534 . . . . 0.0 111.056 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 91' ' ' LEU . 8.0 tt -64.55 -25.34 67.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.569 176.819 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -100.58 -70.38 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.278 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.521 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 46.1 mtp180 -125.42 -175.1 3.23 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.798 ' HG3' ' HA ' ' A' ' 97' ' ' PRO . 1.0 OUTLIER -153.21 158.37 41.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.4 0.619 . . . . 0.0 112.533 -174.431 . . . . . . . . 3 3 . 1 . 001 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -89.94 -58.36 2.54 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 169.333 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -86.48 120.79 72.27 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 167.168 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.798 ' HA ' ' HG3' ' A' ' 94' ' ' GLN . 74.9 Cg_exo -48.21 -56.63 2.94 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.883 2.389 . . . . 0.0 111.563 -177.624 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -127.7 124.7 38.49 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.379 172.465 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.503 ' HB ' ' HB2' ' A' ' 64' ' ' LEU . 65.7 mt -71.93 110.46 5.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -111.12 129.84 55.81 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.012 -175.335 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -124.49 120.81 33.07 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.21 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.617 ' HA ' ' O ' ' A' ' 60' ' ' ASP . 12.1 pt20 -142.45 141.46 32.19 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.191 177.25 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 45.7 ptt85 -130.42 129.14 42.65 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.369 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.56 154.84 44.7 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.784 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.6 tp -128.51 21.36 6.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.657 0.742 . . . . 0.0 110.034 -177.271 . . . . . . . . 1 1 . 1 . 001 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.246 -0.883 . . . . 0.0 109.993 178.354 . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ppp? . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 . . . . . . . . . 0 0 . 1 . 002 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -68.93 165.12 20.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.698 0.285 . . . . 0.0 110.235 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.415 HG21 ' CB ' ' A' ' 95' ' ' ASP . 33.3 mm -88.05 146.75 5.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.3 p -91.46 -178.25 5.05 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.168 0.509 . . . . 0.0 111.772 -172.641 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.428 ' O ' HG22 ' A' ' 8' ' ' ILE . 31.7 t -80.62 -169.55 2.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.541 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.7 m -50.18 -21.19 1.23 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.538 0.735 . . . . 0.0 111.692 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -51.36 -24.18 4.48 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.174 175.806 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.619 HD11 ' HB2' ' A' ' 90' ' ' TYR . 16.3 tt -59.96 -39.45 80.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-O 120.878 0.371 . . . . 0.0 110.81 177.298 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.8 t -74.83 -28.63 60.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.275 0.559 . . . . 0.0 110.035 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -73.95 -36.25 64.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.177 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.75 -15.63 63.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.876 -177.354 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.6 -16.55 64.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.008 0.432 . . . . 0.0 110.822 177.263 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -79.39 -18.5 52.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.165 0.507 . . . . 0.0 110.563 177.356 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.46 -21.59 61.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.25 -178.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.556 ' HB3' HG23 ' A' ' 49' ' ' THR . 9.3 mp -64.15 116.87 6.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.31 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -124.7 145.1 49.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.861 -176.865 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 129.86 158.88 9.59 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.865 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -111.49 117.64 33.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.058 0.456 . . . . 0.0 110.152 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.54 HG12 ' CD1' ' A' ' 28' ' ' TYR . 8.7 t -95.53 135.62 29.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.961 -177.133 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.53 148.8 20.77 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.469 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -85.73 125.05 32.92 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.463 ' OD1' ' HG2' ' A' ' 24' ' ' LYS . 41.3 t30 -107.12 113.75 27.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.182 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -58.1 -35.84 72.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.714 -175.673 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.463 ' HG2' ' OD1' ' A' ' 22' ' ' ASN . 21.0 ptmt -77.38 -16.36 58.9 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.929 -173.927 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 p -103.24 -26.43 12.98 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.981 0.419 . . . . 0.0 110.689 175.533 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.46 21.31 72.93 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.789 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -140.67 167.72 21.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.02 0.438 . . . . 0.0 110.976 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.54 ' CD1' HG12 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -83.89 125.36 31.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.61 172.139 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 pp -117.84 153.66 19.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.604 HG11 HD11 ' A' ' 81' ' ' LEU . 10.5 t -118.74 132.33 68.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.762 0.315 . . . . 0.0 110.368 -178.267 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -124.21 156.65 36.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.992 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -82.07 -34.17 29.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.155 0.502 . . . . 0.0 109.955 -177.139 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.0 t -107.9 124.01 49.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.301 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.97 -16.57 63.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.325 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -77.21 -7.42 55.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.815 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.3 m -87.35 -8.56 56.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.814 -175.614 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -80.76 128.87 34.14 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.36 -175.25 41.95 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.645 -177.144 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.7 ttt -69.87 -13.23 62.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.327 0.584 . . . . 0.0 110.522 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -80.67 -7.98 59.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.108 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.0 t -112.55 139.14 38.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.415 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.65 137.19 45.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.695 0.283 . . . . 0.0 110.963 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -62.57 -44.68 95.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.341 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.37 -8.19 48.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.708 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.1 t -78.7 -30.58 46.1 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.3 mt -66.14 108.27 0.95 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.08 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.5 m -135.2 124.64 16.44 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.347 -177.958 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -53.39 132.46 48.59 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.429 2.086 . . . . 0.0 111.141 174.65 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.556 HG23 ' HB3' ' A' ' 15' ' ' LEU . 8.8 t -63.82 -17.34 63.02 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -174.578 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.437 ' O ' HG22 ' A' ' 53' ' ' VAL . 9.5 p -71.49 -50.86 27.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.992 0.425 . . . . 0.0 110.217 175.106 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -72.71 -23.02 60.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.64 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -56.49 -37.59 70.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.675 -177.684 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 50' ' ' SER . 22.6 m -80.89 -18.66 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.714 0.292 . . . . 0.0 111.622 -175.859 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -79.27 120.22 23.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.99 0.424 . . . . 0.0 110.33 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.51 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . 2.6 m -110.34 104.04 12.77 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.921 -178.582 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.0 m -76.04 115.14 15.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.735 -177.593 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.0 m -108.06 2.26 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.144 0.497 . . . . 0.0 110.446 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.485 ' HG3' ' H ' ' A' ' 59' ' ' ASP . 13.9 tpp180 -160.75 -174.5 4.46 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.485 ' H ' ' HG3' ' A' ' 58' ' ' ARG . 2.5 m-20 -49.45 -62.87 1.31 Allowed 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.082 0.553 . . . . 0.0 111.426 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -114.73 -17.0 11.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.982 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.479 ' HB ' ' HB3' ' A' ' 58' ' ' ARG . 48.4 t -71.97 108.5 3.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.137 0.494 . . . . 0.0 110.775 -178.375 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 67.8 mtm -116.98 145.06 43.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.967 177.043 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.51 ' HG3' ' HB2' ' A' ' 55' ' ' SER . 5.4 ptp180 -113.47 144.49 42.73 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 175.678 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.571 ' HB2' ' HB ' ' A' ' 99' ' ' ILE . 0.6 OUTLIER -73.84 110.59 8.25 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 174.622 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.89 105.68 2.78 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.107 -177.107 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.433 ' H ' ' CD ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -69.77 -25.49 63.84 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 122.594 -0.356 . . . . 0.0 111.115 177.029 . . . . . . . . 3 3 . 1 . 002 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -66.41 -22.89 66.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.308 0.575 . . . . 0.0 110.37 177.414 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -71.09 -33.92 70.64 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.74 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.7 mt -64.57 -27.8 69.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.809 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.486 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 86.3 mm-40 -56.91 -34.87 68.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.785 178.313 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 55.7 mt -75.07 -35.99 36.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.316 0.579 . . . . 0.0 110.594 178.717 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.2 mt -75.19 -30.1 60.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.86 -175.878 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.5 pp -66.79 -25.28 66.39 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.105 -177.915 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -71.76 -3.22 20.75 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.609 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.401 ' C ' ' H ' ' A' ' 77' ' ' ILE . 69.4 mm-40 -84.11 -26.89 28.58 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 172.726 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 71.96 -34.15 0.29 Allowed 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.181 0.992 . . . . 0.0 112.285 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.463 ' HB ' ' HB3' ' A' ' 80' ' ' ARG . 6.7 pt -80.5 46.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 122.881 0.472 . . . . 0.0 111.734 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -51.66 -39.72 58.69 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -178.114 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.63 -44.64 81.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.086 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.463 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 29.9 ttt180 -68.52 -40.66 80.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.458 0.646 . . . . 0.0 110.527 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.604 HD11 HG11 ' A' ' 30' ' ' VAL . 20.7 tp -72.03 -8.41 54.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.573 179.121 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.2 t30 69.68 39.45 1.51 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.419 172.57 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.42 129.53 37.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.464 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.621 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -58.83 143.24 45.42 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.876 -177.396 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.554 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 39.8 mt-10 -60.22 -46.07 97.76 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.554 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 50.5 Cg_exo -57.28 -17.64 27.09 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.181 1.921 . . . . 0.0 112.64 174.475 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.621 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.5 mm? -76.54 -30.5 57.13 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.539 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.476 ' O ' ' HG3' ' A' ' 92' ' ' ARG . 9.0 mp -70.69 -45.03 65.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.367 176.858 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.538 HG22 ' HA ' ' A' ' 86' ' ' PRO . 23.1 m -66.44 -32.98 60.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.558 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.619 ' HB2' HD11 ' A' ' 8' ' ' ILE . 59.4 t80 -57.66 -40.62 79.74 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.02 0.438 . . . . 0.0 110.553 175.577 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 tt -69.61 -41.33 75.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.727 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 88' ' ' LEU . 80.0 mtp180 -67.91 -44.34 77.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.906 -178.95 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.409 ' HB3' HD11 ' A' ' 3' ' ' ILE . 43.1 ttt180 -149.6 113.59 5.13 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.157 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -88.43 96.8 10.74 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.451 0.643 . . . . 0.0 110.682 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.415 ' CB ' HG21 ' A' ' 3' ' ' ILE . 24.3 t70 -54.51 -49.16 70.86 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.349 174.547 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 97.3 mt -102.1 122.16 47.95 Favored Pre-proline 0 C--N 1.318 -0.791 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 168.63 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.5 -38.69 54.57 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.602 2.201 . . . . 0.0 111.916 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -150.15 120.01 7.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.631 176.511 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.571 ' HB ' ' HB2' ' A' ' 64' ' ' LEU . 73.4 mt -73.28 106.74 3.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 176.14 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.9 p -101.61 133.6 46.04 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.241 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.91 130.98 40.35 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.731 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.89 150.47 36.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.429 173.906 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -108.8 139.39 43.68 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.865 0.364 . . . . 0.0 110.148 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.415 ' O ' ' HG3' ' A' ' 104' ' ' GLN . 10.6 pt20 -65.71 105.55 1.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.403 0.62 . . . . 0.0 111.92 -176.293 . . . . . . . . 2 2 . 1 . 002 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 38.6 tp -89.76 -15.77 31.72 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 171.089 . . . . . . . . 1 1 . 1 . 002 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.587 ' HD3' ' C ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-N 114.537 -1.211 . . . . 0.0 108.576 176.896 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 120.657 0.265 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 003 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 p -80.41 157.6 26.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.715 178.066 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.404 HD13 ' HB ' ' A' ' 89' ' ' VAL . 39.2 mm -68.92 134.86 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.16 0.505 . . . . 0.0 110.932 -177.717 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 54.4 p -92.96 178.02 5.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.125 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 m -82.53 -169.64 2.55 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.488 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 m -50.68 -22.49 2.09 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.256 0.623 . . . . 0.0 112.22 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -52.39 -22.11 4.31 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 122.834 0.454 . . . . 0.0 111.514 177.01 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.6 tt -55.05 -41.06 57.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 122.514 0.326 . . . . 0.0 111.534 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.448 ' HB3' ' HH2' ' A' ' 54' ' ' TRP . 58.7 m -70.41 -35.01 73.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.247 0.546 . . . . 0.0 110.329 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -74.58 -32.99 62.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.765 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.81 -25.86 68.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.032 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.503 ' HB2' HD11 ' A' ' 87' ' ' LEU . . . -69.11 -18.75 64.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.179 0.514 . . . . 0.0 110.725 176.631 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -85.28 -5.11 59.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.467 0.651 . . . . 0.0 110.034 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.08 -2.86 56.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.61 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.461 ' HB3' HG23 ' A' ' 49' ' ' THR . 85.2 mt -68.39 141.04 55.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.674 177.046 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -125.75 145.13 50.33 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.56 -176.809 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.66 161.17 17.73 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.457 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 92.4 m-85 -111.66 157.2 20.73 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.6 t -120.67 134.39 64.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.427 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.13 152.6 24.66 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.957 -178.376 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -85.89 120.57 27.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.055 0.455 . . . . 0.0 110.509 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.564 HD22 ' HE1' ' A' ' 37' ' ' PHE . 28.1 t-20 -109.56 128.3 55.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.843 177.863 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.447 HH11 ' HD2' ' A' ' 23' ' ' ARG . 7.2 ptp180 -69.84 -24.24 63.42 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -174.306 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -78.27 -38.32 42.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.917 0.389 . . . . 0.0 110.281 -177.298 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.5 p -81.56 -26.37 35.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.13 0.491 . . . . 0.0 110.048 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 26' ' ' GLY . . . . . 0.441 ' O ' ' HD2' ' A' ' 27' ' ' ARG . . . 75.09 9.84 84.06 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.247 178.04 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.457 HH11 ' HD2' ' A' ' 27' ' ' ARG . 14.1 mmm180 -129.74 160.04 34.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.017 0.437 . . . . 0.0 110.768 -176.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -79.0 101.66 7.91 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 171.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.57 HG22 HE22 ' A' ' 75' ' ' GLN . 2.8 pp -116.66 159.14 16.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.099 0.476 . . . . 0.0 112.106 -167.584 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.486 HG13 ' HG3' ' A' ' 75' ' ' GLN . 34.3 m -83.27 148.55 5.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.947 -179.187 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -147.02 132.82 18.97 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -103.29 16.04 27.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.138 0.495 . . . . 0.0 110.337 -177.658 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.467 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 12.2 m -134.03 115.28 14.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.142 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.51 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 2.3 mp0 -66.33 -38.34 87.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.269 0.557 . . . . 0.0 110.06 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -71.62 -1.07 12.35 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.288 -177.786 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.467 ' HB2' ' HB2' ' A' ' 33' ' ' SER . 23.2 t -70.54 -23.86 62.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.308 179.205 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.564 ' HE1' HD22 ' A' ' 22' ' ' ASN . 83.7 m-85 -134.3 100.43 4.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.641 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.32 -111.58 3.61 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.955 178.704 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.6 mtm -80.6 74.92 7.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.0 0.428 . . . . 0.0 110.284 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -172.3 -41.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.671 -176.416 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' A' ' 37' ' ' PHE . 58.5 t -128.63 136.65 59.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.573 177.23 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.33 132.65 46.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.073 0.463 . . . . 0.0 111.58 -177.85 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.69 -19.81 65.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.149 176.966 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -68.44 -25.92 65.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.632 175.299 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.4 t -80.06 -37.06 34.67 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.466 HD11 ' HB2' ' A' ' 37' ' ' PHE . 60.7 mt -66.0 115.72 4.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.82 177.642 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.0 m -123.18 127.89 25.48 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.97 -176.814 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 18' ' ' PHE . 19.2 Cg_endo -59.44 132.55 46.82 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.547 2.165 . . . . 0.0 111.381 175.476 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.461 HG23 ' HB3' ' A' ' 15' ' ' LEU . 8.8 t -65.11 -19.36 65.95 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -173.971 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.3 p -82.16 -11.62 58.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.765 0.317 . . . . 0.0 111.496 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -115.5 -24.37 8.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.186 0.517 . . . . 0.0 110.409 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -64.45 -18.52 64.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.388 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.6 m -83.7 -7.63 10.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.665 -175.422 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.448 ' HH2' ' HB3' ' A' ' 9' ' ' CYS . 97.8 m95 -105.61 122.88 46.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.965 0.412 . . . . 0.0 111.246 -178.219 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.5 m -109.77 125.28 52.53 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.981 174.254 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.6 m -76.96 115.57 16.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.964 0.411 . . . . 0.0 110.999 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.3 m -105.76 4.2 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.303 0.573 . . . . 0.0 110.352 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.598 ' HB3' ' HB ' ' A' ' 61' ' ' VAL . 9.2 tpt180 -169.28 174.61 6.01 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.446 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 4.7 m-20 -39.82 -63.8 0.55 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.2 0.6 . . . . 0.0 112.324 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.481 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 12.8 m-20 -123.33 23.42 9.05 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -178.798 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.598 ' HB ' ' HB3' ' A' ' 58' ' ' ARG . 21.4 t -106.47 109.53 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 177.58 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -109.37 135.93 49.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -104.55 145.2 30.64 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.65 119.18 20.83 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 173.226 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.693 ' O ' ' HG3' ' A' ' 68' ' ' GLN . . . -99.7 119.69 6.6 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.394 -0.907 . . . . 0.0 112.513 -177.828 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.41 ' HG3' ' H ' ' A' ' 66' ' ' ARG . 0.8 OUTLIER -66.19 -13.23 59.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.861 0.362 . . . . 0.0 111.428 177.81 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -58.61 -29.46 66.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.597 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.693 ' HG3' ' O ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -65.6 -31.25 72.18 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-O 120.746 0.308 . . . . 0.0 110.335 178.972 . . . . . . . . 3 3 . 1 . 003 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.544 ' HG ' ' OE1' ' A' ' 68' ' ' GLN . 31.8 mt -65.57 -41.04 93.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.42 177.746 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.545 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 83.9 mm-40 -63.94 -34.43 77.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.622 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.6 mt -75.5 -46.13 38.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.018 177.907 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 36.8 mt -66.63 -25.82 66.77 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -175.55 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.5 pp -66.24 -25.59 66.96 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.23 -39.1 93.67 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-O 121.041 0.448 . . . . 0.0 110.0 174.265 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.57 HE22 HG22 ' A' ' 29' ' ' ILE . 29.6 mm-40 -72.54 -49.66 31.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.578 176.833 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 74.39 -11.08 1.05 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.07 172.418 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.457 ' H ' HG13 ' A' ' 77' ' ' ILE . 1.8 pp -79.25 68.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.706 0.765 . . . . 0.0 112.169 -177.723 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.711 ' HA ' HD13 ' A' ' 83' ' ' ILE . 4.8 p-10 -63.83 -29.43 70.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.657 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -72.72 -34.33 67.02 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.698 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -84.16 -50.04 8.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.841 -174.861 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.505 ' HB3' HD12 ' A' ' 83' ' ' ILE . 14.9 tp -80.11 -11.29 59.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.679 -177.75 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.68 43.86 1.75 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.956 176.744 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.711 HD13 ' HA ' ' A' ' 78' ' ' ASN . 2.5 mp -58.88 122.23 8.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 175.738 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.513 ' HA3' HD23 ' A' ' 87' ' ' LEU . . . -65.82 157.37 48.44 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.536 -0.757 . . . . 0.0 113.268 -174.847 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.556 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 21.1 mt-10 -67.98 -45.26 41.84 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 115.366 -0.417 . . . . 0.0 111.438 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.556 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 50.4 Cg_exo -57.46 -26.2 70.21 Favored 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 121.859 1.706 . . . . 0.0 111.722 171.268 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.513 HD23 ' HA3' ' A' ' 84' ' ' GLY . 3.7 mm? -74.16 -31.91 62.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.172 0.51 . . . . 0.0 109.74 178.761 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.08 -39.88 75.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.522 177.0 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 86' ' ' PRO . 9.0 m -71.36 -31.31 43.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.716 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -54.37 -42.7 70.62 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.05 0.453 . . . . 0.0 110.012 175.787 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.52 HD12 ' HB3' ' A' ' 69' ' ' LEU . 9.0 tt -65.8 -33.15 75.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.585 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 67.2 mtp85 -64.47 -57.15 10.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.69 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -175.64 128.22 0.25 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.574 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -118.08 144.53 45.55 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.739 172.085 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -65.02 -43.13 93.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.104 0.478 . . . . 0.0 110.294 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.7 mt -104.03 128.8 26.43 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.831 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -64.04 -40.92 24.79 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.551 2.167 . . . . 0.0 111.551 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -114.1 101.32 9.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.517 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 49.2 mt -84.08 105.44 13.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 174.037 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.2 p -98.02 130.06 44.86 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.944 -174.855 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -122.98 120.87 34.64 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.483 -0.78 . . . . 0.0 108.972 175.087 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.481 ' HA ' ' O ' ' A' ' 60' ' ' ASP . 20.0 pt20 -118.58 139.23 51.8 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.513 0.673 . . . . 0.0 111.944 -175.465 . . . . . . . . 2 2 . 1 . 003 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -90.45 -12.75 36.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.071 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -95.0 153.13 17.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.86 177.419 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 79.6 mt -97.6 22.26 9.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.005 0.431 . . . . 0.0 110.992 -174.078 . . . . . . . . 1 1 . 1 . 003 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.769 179.505 . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.484 1.233 0 CA-C-O 120.656 0.265 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 004 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -93.94 179.36 5.36 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.4 mm -68.7 134.75 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.289 0.566 . . . . 0.0 111.139 -174.663 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.6 p -93.11 -175.48 3.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.497 -176.154 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -85.77 -170.4 3.09 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.241 177.775 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.7 m -50.65 -21.83 1.76 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.454 0.701 . . . . 0.0 112.153 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -51.19 -22.38 2.58 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 176.415 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.593 ' HA ' ' HB2' ' A' ' 86' ' ' PRO . 18.6 tt -59.51 -37.37 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 120.926 0.393 . . . . 0.0 110.84 177.67 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.6 t -74.72 -33.85 62.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.335 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -72.92 -43.27 62.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.965 -176.077 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.82 -31.95 73.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.832 0.348 . . . . 0.0 111.265 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.51 -14.75 63.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.38 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -88.84 -23.0 22.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.097 0.475 . . . . 0.0 110.537 177.979 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.59 4.26 40.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.442 -176.88 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.495 ' O ' ' HB2' ' A' ' 50' ' ' SER . 55.2 mt -71.64 129.37 38.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.101 179.072 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -131.75 141.16 49.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.129 0.49 . . . . 0.0 111.07 -177.529 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 137.25 151.52 5.96 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 -175.487 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -116.27 117.49 30.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 117.635 0.718 . . . . 0.0 111.048 -175.959 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.607 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 10.7 p -108.76 127.31 65.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.878 -178.151 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -138.83 169.86 24.23 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.76 -173.64 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -92.65 113.72 26.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.954 0.407 . . . . 0.0 110.671 -177.923 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.485 ' HA ' HG22 ' A' ' 41' ' ' VAL . 2.8 t-20 -92.19 100.8 13.34 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 176.397 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -75.63 -14.98 60.39 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.785 -171.001 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -62.15 -37.57 85.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.472 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.423 HG23 ' H ' ' A' ' 27' ' ' ARG . 6.6 t -100.67 -26.32 13.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.982 0.42 . . . . 0.0 110.426 177.225 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.56 24.21 34.08 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.847 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.423 ' H ' HG23 ' A' ' 25' ' ' THR . 41.2 mtp180 -127.66 162.35 26.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.063 0.459 . . . . 0.0 111.018 -177.972 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.477 ' CE2' HG22 ' A' ' 19' ' ' VAL . 11.4 t80 -100.76 111.75 24.03 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 pp -127.19 158.91 38.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.861 0.362 . . . . 0.0 111.675 -170.528 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.607 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 11.2 p -105.28 143.47 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.379 0.609 . . . . 0.0 111.645 -174.55 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.541 ' HE ' ' HA ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -132.4 161.42 33.68 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 174.268 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -79.33 -40.44 30.29 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.223 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.8 p -109.22 138.77 45.07 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.539 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -70.45 -37.96 74.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.171 0.51 . . . . 0.0 111.349 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -85.48 17.7 3.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.153 -173.208 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.493 ' OG ' ' HG2' ' A' ' 31' ' ' ARG . 54.4 p -98.06 -11.25 23.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.151 0.501 . . . . 0.0 109.817 174.259 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.502 ' HB3' ' HB ' ' A' ' 41' ' ' VAL . 56.6 m-85 -71.68 145.13 49.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.818 175.513 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.0 -168.02 36.15 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.019 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -68.44 -3.79 12.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.642 0.258 . . . . 0.0 111.627 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -76.25 -45.76 31.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.058 0.456 . . . . 0.0 110.035 176.618 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.502 ' HB ' ' HB3' ' A' ' 37' ' ' PHE . 57.9 t -82.38 129.99 36.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.016 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.32 143.59 35.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.742 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -59.12 -37.41 77.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.389 0.614 . . . . 0.0 110.505 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -68.3 -21.55 64.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.813 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.456 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 14.9 m -92.26 1.97 56.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.24 -177.86 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.4 mt -96.35 123.76 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.753 0.311 . . . . 0.0 110.223 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 56.9 m -143.04 130.97 11.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.533 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -59.14 140.38 94.74 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.349 2.033 . . . . 0.0 111.171 174.098 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.0 t -61.25 -25.56 67.16 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -174.061 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.495 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 33.1 t -69.65 -44.73 69.97 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.686 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -79.0 -6.79 57.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.213 0.53 . . . . 0.0 110.174 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -81.19 -29.03 34.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.253 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 50' ' ' SER . 23.7 m -89.89 -25.35 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 110.554 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -92.2 114.57 27.15 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.1 0.476 . . . . 0.0 109.819 174.356 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 t -90.67 109.59 20.77 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.429 ' HA ' ' HG2' ' A' ' 62' ' ' MET . 7.2 m -76.69 113.68 14.6 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.7 m -101.31 -13.4 8.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.44 0.638 . . . . 0.0 109.668 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.552 ' HB3' ' HB ' ' A' ' 61' ' ' VAL . 8.0 tpt180 -153.3 167.44 29.35 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.4 -45.48 80.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.875 0.369 . . . . 0.0 111.367 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.654 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 15.2 p-10 -105.02 -7.36 19.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.791 -176.191 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' A' ' 58' ' ' ARG . 42.8 t -116.34 117.51 55.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.221 0.534 . . . . 0.0 111.487 -176.436 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.429 ' HG2' ' HA ' ' A' ' 56' ' ' SER . 52.5 mtt -126.17 162.74 24.69 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 175.333 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.481 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 8.8 ptm85 -137.51 152.88 49.97 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.856 177.399 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 64' ' ' LEU . 1.0 OUTLIER -87.61 128.02 35.27 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.462 ' O ' ' HG2' ' A' ' 68' ' ' GLN . . . -113.94 129.09 8.58 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.755 177.239 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.491 ' HB3' ' CE2' ' A' ' 90' ' ' TYR . 9.7 ptp180 -71.73 -31.15 66.39 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 122.148 -0.619 . . . . 0.0 111.801 179.024 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.494 ' HA ' ' CG ' ' A' ' 70' ' ' GLN . 43.1 mt-10 -63.31 -22.75 67.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.363 0.601 . . . . 0.0 110.84 -177.296 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 65' ' ' GLY . 29.8 mm-40 -63.66 -42.39 98.08 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.135 177.172 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.662 HD23 HD12 ' A' ' 72' ' ' LEU . 93.3 mt -73.36 -28.58 62.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.661 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.563 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 12.9 mm100 -62.33 -28.23 69.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.076 0.465 . . . . 0.0 110.289 177.685 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 64.8 mt -75.46 -38.22 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.18 0.514 . . . . 0.0 110.553 175.252 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.662 HD12 HD23 ' A' ' 69' ' ' LEU . 93.5 mt -72.31 -25.44 61.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.044 -174.591 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.4 pp -64.8 -22.66 67.03 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.114 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -53.56 -37.57 63.03 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.897 0.38 . . . . 0.0 111.029 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.591 ' HB3' HG13 ' A' ' 77' ' ' ILE . 26.5 mp0 -83.05 -33.04 26.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 70.8 2.23 4.08 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.611 0.764 . . . . 0.0 112.494 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.591 HG13 ' HB3' ' A' ' 75' ' ' GLN . 1.8 pp -90.73 60.41 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.497 0.665 . . . . 0.0 111.615 -178.122 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -60.19 -27.83 67.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.759 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -67.46 -36.53 81.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.426 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -77.97 -43.0 31.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.01 -178.27 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.525 ' HB3' HD13 ' A' ' 83' ' ' ILE . 89.5 mt -68.51 -20.84 64.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.989 177.351 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.417 HD22 ' HA ' ' A' ' 82' ' ' ASN . 7.8 m120 69.58 23.82 5.78 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.387 -178.711 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.525 HD13 ' HB3' ' A' ' 81' ' ' LEU . 1.4 mp -59.22 126.12 16.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.705 175.107 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.557 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -83.03 177.19 53.24 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.724 -0.671 . . . . 0.0 113.885 -171.466 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.561 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 40.8 mt-10 -63.02 -48.07 85.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.502 -0.349 . . . . 0.0 111.635 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.598 ' HA ' HG22 ' A' ' 89' ' ' VAL . 11.8 Cg_endo -56.84 -22.16 44.06 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 122.119 1.879 . . . . 0.0 111.755 173.971 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.557 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.0 mm? -79.08 -34.67 43.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.067 179.017 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.6 mp -70.15 -43.3 71.17 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.556 175.326 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.598 HG22 ' HA ' ' A' ' 86' ' ' PRO . 10.5 m -67.95 -31.85 53.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.612 -177.963 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.538 ' HB2' HD11 ' A' ' 8' ' ' ILE . 75.8 t80 -59.41 -37.13 77.22 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.451 176.622 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.527 HD21 ' HB2' ' A' ' 69' ' ' LEU . 89.0 mt -67.31 -33.85 76.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.383 177.18 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 89' ' ' VAL . 19.4 mmm180 -63.94 -58.58 6.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.854 175.83 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -161.68 173.98 13.93 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -140.85 133.25 28.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.269 0.557 . . . . 0.0 110.901 175.24 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -82.05 -42.67 18.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.462 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -83.95 119.1 72.96 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.613 177.504 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.88 -53.12 1.38 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 111.616 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -106.6 100.89 10.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.811 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.427 HD12 ' CE1' ' A' ' 90' ' ' TYR . 51.3 mt -99.56 105.14 17.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 172.751 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 63' ' ' ARG . 20.6 p -125.1 161.3 27.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.733 -176.778 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -126.95 119.62 27.16 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.646 176.417 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.654 ' HA ' ' O ' ' A' ' 60' ' ' ASP . 13.5 pt20 -144.93 134.16 22.87 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.726 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -83.25 84.87 7.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.911 0.862 . . . . 0.0 110.716 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -91.61 -173.87 3.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.532 177.16 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.4 tt -81.28 -41.96 21.37 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.219 -176.795 . . . . . . . . 1 1 . 1 . 004 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.448 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 30.8 ptt180 . . . . . 0 C--O 1.251 1.148 0 CA-C-O 119.328 -0.367 . . . . 0.0 111.297 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.874 0.369 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 005 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m -103.1 172.61 6.71 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.423 HD13 ' HB ' ' A' ' 89' ' ' VAL . 43.5 mm -68.65 134.85 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.5 p -91.2 173.21 8.05 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.735 -176.086 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 t -74.73 -171.89 1.41 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.119 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.4 m -54.36 -22.12 11.38 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.101 0.56 . . . . 0.0 111.926 -177.708 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -52.18 -19.82 2.21 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.96 0.504 . . . . 0.0 111.571 176.931 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.539 HD11 ' HB2' ' A' ' 90' ' ' TYR . 15.2 tt -52.71 -34.52 19.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.66 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.9 p -74.65 -29.24 61.19 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.841 0.353 . . . . 0.0 110.943 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -69.63 -34.67 74.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.162 0.506 . . . . 0.0 110.63 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.34 -15.7 62.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.435 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.556 ' HB1' HG21 ' A' ' 53' ' ' VAL . . . -71.34 -17.76 62.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.961 0.41 . . . . 0.0 111.274 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 13' ' ' ASP . . . . . 0.404 ' HA ' ' OG ' ' A' ' 50' ' ' SER . 86.2 m-20 -83.28 -5.44 59.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.91 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.1 -3.13 58.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.988 0.423 . . . . 0.0 111.052 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.548 ' O ' ' HB2' ' A' ' 50' ' ' SER . 9.7 mp -82.83 122.65 28.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.094 178.631 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -120.51 138.46 53.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.042 0.449 . . . . 0.0 110.663 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 141.98 166.03 10.72 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.384 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.492 ' HB3' ' CG2' ' A' ' 46' ' ' ILE . 85.4 m-85 -122.41 117.58 26.35 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.046 0.451 . . . . 0.0 110.279 -177.801 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.479 HG23 ' HB ' ' A' ' 49' ' ' THR . 43.5 t -95.81 130.92 43.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.755 -178.832 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.21 158.84 23.8 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.369 -0.92 . . . . 0.0 111.959 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -94.27 112.56 24.36 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.756 0.313 . . . . 0.0 110.206 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.552 ' HB2' HG12 ' A' ' 29' ' ' ILE . 26.8 t-20 -83.51 104.05 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 176.381 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -69.22 -29.29 67.21 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.827 -173.942 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.418 ' HE3' ' HB2' ' A' ' 24' ' ' LYS . 37.5 ttmt -62.52 -51.46 67.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.655 0.264 . . . . 0.0 110.856 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.0 p -79.29 -23.51 43.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.92 0.391 . . . . 0.0 110.776 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.36 29.78 35.69 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.597 176.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.37 166.29 33.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.008 0.432 . . . . 0.0 111.593 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -75.57 137.46 40.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.807 -178.184 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.552 HG12 ' HB2' ' A' ' 22' ' ' ASN . 2.5 pp -126.93 153.75 36.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.461 177.444 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.2 t -105.92 120.42 56.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.96 0.41 . . . . 0.0 110.578 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.516 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 3.8 mmp_? -109.99 132.08 54.48 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 175.745 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.517 ' CZ ' ' HG2' ' A' ' 80' ' ' ARG . 98.9 m-85 -87.19 -13.79 42.97 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.427 0.632 . . . . 0.0 109.938 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.419 ' HB2' ' OG ' ' A' ' 36' ' ' SER . 9.8 m -129.96 129.0 43.22 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.579 172.016 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.98 -12.9 61.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.979 0.419 . . . . 0.0 110.653 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -86.79 -4.23 59.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.736 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.419 ' OG ' ' HB2' ' A' ' 33' ' ' SER . 15.6 m -90.26 26.92 1.78 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.013 0.435 . . . . 0.0 111.023 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 11.3 p90 -91.49 -169.65 2.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.829 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.37 -161.31 9.99 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.185 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.9 ptp -76.51 -18.32 58.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.086 0.469 . . . . 0.0 110.094 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -84.32 -58.77 2.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.862 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.8 t -76.11 102.91 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.179 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.17 142.22 52.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.19 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -74.47 -6.83 50.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.091 0.472 . . . . 0.0 110.578 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -86.58 -12.52 48.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.505 0.669 . . . . 0.0 109.635 174.864 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.3 m -101.02 16.67 24.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.251 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.492 ' CG2' ' HB3' ' A' ' 18' ' ' PHE . 68.3 mt -112.25 135.43 51.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.422 -177.917 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 47' ' ' THR . . . . . 0.417 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 90.6 m -140.71 130.06 13.07 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.615 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 8.8 Cg_endo -51.24 132.98 40.93 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.921 2.414 . . . . 0.0 111.73 176.106 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.479 ' HB ' HG23 ' A' ' 19' ' ' VAL . 11.7 t -64.25 -27.86 69.34 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -172.324 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.638 ' O ' HG22 ' A' ' 53' ' ' VAL . 23.0 t -67.92 -45.09 75.34 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.383 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -76.81 -14.93 59.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.358 0.599 . . . . 0.0 110.121 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -73.15 -30.19 63.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.465 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 50' ' ' SER . 4.2 m -81.96 -18.87 11.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.105 0.478 . . . . 0.0 110.252 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -87.86 127.37 35.34 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.218 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.3 m -107.73 102.21 11.45 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.886 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.523 ' HA ' ' HG2' ' A' ' 62' ' ' MET . 16.4 m -74.32 114.51 12.76 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 177.593 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.5 m -124.8 0.49 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.873 0.368 . . . . 0.0 111.458 -175.374 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.419 ' HB3' ' H ' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -157.41 162.85 39.01 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -178.467 . . . . . . . . 3 3 . 1 . 005 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.83 -46.88 84.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.435 0.636 . . . . 0.0 110.73 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' OD2' ' HB2' ' A' ' 102' ' ' GLN . 24.0 t70 -104.72 -31.65 9.25 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.082 -175.586 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.419 ' H ' ' HB3' ' A' ' 58' ' ' ARG . 20.0 t -102.85 126.33 57.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.889 -171.277 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.523 ' HG2' ' HA ' ' A' ' 56' ' ' SER . 69.4 mtm -124.81 153.54 42.35 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 172.248 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.543 ' HB3' HG22 ' A' ' 100' ' ' THR . 51.2 ptt85 -127.7 166.94 17.18 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.04 -178.688 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.6 128.51 34.78 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 176.983 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.473 ' O ' ' HG3' ' A' ' 68' ' ' GLN . . . -93.45 132.56 11.28 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.603 -178.24 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.502 ' HD2' ' CE2' ' A' ' 90' ' ' TYR . 9.7 mmm180 -70.31 -20.22 63.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.798 0.332 . . . . 0.0 110.531 175.145 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -53.62 -45.91 70.27 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.375 -174.544 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.587 ' NE2' ' HG ' ' A' ' 69' ' ' LEU . 2.8 pp0? -51.93 -33.94 39.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.998 -0.547 . . . . 0.0 112.467 -179.104 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.587 ' HG ' ' NE2' ' A' ' 68' ' ' GLN . 82.9 mt -59.44 -36.37 75.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.789 0.328 . . . . 0.0 111.3 -177.521 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.485 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 10.0 mm-40 -65.01 -42.46 94.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.686 -173.615 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.0 mt -76.27 -36.65 30.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.004 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 61.5 mt -72.31 -31.54 65.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.072 -176.531 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.5 pp -63.25 -24.35 67.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.608 0.242 . . . . 0.0 111.466 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.74 -22.6 64.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.938 0.399 . . . . 0.0 110.869 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -118.34 97.83 5.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.287 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 91.8 m-20 -89.04 9.46 25.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.505 -175.523 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.477 ' H ' HG13 ' A' ' 77' ' ' ILE . 1.4 pp -75.55 68.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.774 0.797 . . . . 0.0 110.838 176.218 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -59.77 -39.4 84.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.653 -174.796 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -59.09 -29.03 67.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.054 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.517 ' HG2' ' CZ ' ' A' ' 32' ' ' PHE . 38.4 ttm180 -93.54 -47.81 6.66 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.207 0.527 . . . . 0.0 110.824 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.445 ' HB2' HD12 ' A' ' 77' ' ' ILE . 13.0 tp -70.51 -21.06 62.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.161 -172.647 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.8 m120 69.08 31.04 4.22 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 173.578 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 mp -72.91 130.3 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.491 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -68.73 158.32 52.85 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.922 -177.079 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.568 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 5.5 mp0 -61.21 -48.22 92.31 Favored Pre-proline 0 CA--C 1.538 0.507 0 N-CA-C 111.679 0.252 . . . . 0.0 111.679 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.568 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 32.2 Cg_exo -60.6 -19.63 61.0 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 122.001 1.801 . . . . 0.0 112.193 175.405 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.7 mm? -76.38 -23.51 54.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.125 0.488 . . . . 0.0 109.936 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.5 mt -73.68 -40.87 63.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.523 177.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.423 ' HB ' HD13 ' A' ' 3' ' ' ILE . 26.8 m -71.79 -29.7 34.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.707 178.954 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.539 ' HB2' HD11 ' A' ' 8' ' ' ILE . 44.4 t80 -51.58 -28.34 13.71 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.281 176.309 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.502 HD23 HD13 ' A' ' 69' ' ' LEU . 59.3 mt -63.34 -32.85 74.39 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.055 0.455 . . . . 0.0 111.109 175.77 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.0 mtp180 -88.18 -44.6 10.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.567 -177.126 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -167.1 160.88 14.32 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 176.856 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.501 ' HB2' HD11 ' A' ' 99' ' ' ILE . 14.9 pt20 -112.06 156.55 22.02 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.406 176.4 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.57 -71.9 0.14 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.182 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.2 mt -81.4 148.93 64.14 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.899 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.29 -39.31 91.67 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.382 2.055 . . . . 0.0 110.951 174.33 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -129.42 102.6 6.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.08 171.84 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.501 HD11 ' HB2' ' A' ' 94' ' ' GLN . 52.9 mt -81.66 110.58 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.991 0.424 . . . . 0.0 110.315 -178.229 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.543 HG22 ' HB3' ' A' ' 63' ' ' ARG . 24.2 p -122.58 153.2 39.59 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.878 -176.709 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.4 120.28 21.8 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.32 171.387 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.407 ' HB2' ' OD2' ' A' ' 60' ' ' ASP . 4.8 pt20 -109.94 151.94 26.46 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.236 -174.515 . . . . . . . . 2 2 . 1 . 005 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -45.88 117.12 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.206 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -83.63 96.28 8.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.471 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 93.1 mt -104.42 22.34 15.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.905 -177.51 . . . . . . . . 1 1 . 1 . 005 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.727 -0.654 . . . . 0.0 109.774 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.987 0.422 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 006 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.4 m -120.49 174.59 6.45 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.441 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.486 HD11 ' O ' ' A' ' 93' ' ' ARG . 47.1 mm -87.21 156.11 3.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 177.697 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.2 p -90.9 -175.85 4.48 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.016 0.436 . . . . 0.0 111.757 -174.042 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.553 ' O ' HG22 ' A' ' 8' ' ' ILE . 12.1 t -80.24 -170.17 2.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.29 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.3 m -50.83 -22.56 2.23 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.623 0.769 . . . . 0.0 112.152 -176.858 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.1 -26.76 11.93 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.758 176.239 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.711 HD11 ' HB2' ' A' ' 90' ' ' TYR . 10.6 tt -63.79 -42.51 96.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 120.9 0.381 . . . . 0.0 110.364 177.42 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.8 m -74.33 -33.38 63.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.14 0.495 . . . . 0.0 109.989 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -66.75 -44.36 81.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.665 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.08 -34.29 77.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.166 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.429 ' HB2' HD11 ' A' ' 87' ' ' LEU . . . -65.58 -31.03 71.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.16 0.505 . . . . 0.0 110.859 178.278 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -87.61 -15.14 38.16 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.316 0.579 . . . . 0.0 110.498 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.55 7.31 46.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.144 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.491 HD22 ' HA ' ' A' ' 83' ' ' ILE . 84.6 mt -65.54 124.85 23.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.229 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 16' ' ' LYS . 16.5 ptpt -103.18 145.93 29.18 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.451 -177.769 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.64 168.55 15.43 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.14 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -118.27 165.17 14.15 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.885 0.374 . . . . 0.0 110.38 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 12.8 p -146.64 144.16 20.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 109.2 -0.666 . . . . 0.0 109.2 178.17 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.8 172.35 29.74 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.197 -177.133 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -104.84 118.56 36.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.7 0.286 . . . . 0.0 110.527 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -84.28 97.88 9.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 175.348 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.46 ' HD3' ' OD1' ' A' ' 40' ' ' ASP . 5.1 ptm180 -64.57 -17.62 64.12 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.997 -1.002 . . . . 0.0 112.495 -173.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -90.11 -28.77 18.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.614 0.245 . . . . 0.0 111.424 -175.857 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.3 p -96.26 -25.9 15.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.992 0.425 . . . . 0.0 110.677 176.17 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.2 24.48 40.36 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.526 176.965 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.1 ptm85 -131.64 155.45 47.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.071 0.462 . . . . 0.0 111.115 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -99.73 115.38 29.38 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.421 ' O ' HD12 ' A' ' 29' ' ' ILE . 2.7 pp -125.48 150.95 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.144 0.497 . . . . 0.0 112.331 -170.364 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 29.0 m -86.88 150.64 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.732 178.584 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.597 ' HE ' ' HA ' ' A' ' 31' ' ' ARG . 1.8 tpm_? -138.52 131.55 29.79 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.694 -178.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -87.29 -37.22 17.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.04 0.448 . . . . 0.0 110.157 -178.152 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.7 m -95.95 109.98 22.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.405 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -61.54 -23.51 66.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 -177.958 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -75.23 -9.83 58.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.036 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.492 ' HB2' ' HD3' ' A' ' 31' ' ' ARG . 20.6 m -78.49 58.49 2.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.189 0.519 . . . . 0.0 111.667 -176.255 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -143.54 168.85 18.89 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 176.121 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.95 -146.24 5.44 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.304 -0.951 . . . . 0.0 112.56 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.5 mtp -87.76 -21.48 25.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.217 0.532 . . . . 0.0 109.818 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.46 ' OD1' ' HD3' ' A' ' 23' ' ' ARG . 12.1 t70 -75.62 -41.56 54.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.134 178.387 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.6 t -84.75 128.25 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.352 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.57 145.68 38.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.022 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.9 -35.46 80.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.446 0.641 . . . . 0.0 109.705 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.8 -14.87 63.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.638 -176.154 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.7 t -76.26 -32.94 59.12 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.3 mt -73.47 107.8 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.259 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.0 m -122.38 131.15 24.43 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.348 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -55.33 133.4 57.86 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.117 1.878 . . . . 0.0 110.778 172.004 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.47 ' O ' HG13 ' A' ' 53' ' ' VAL . 7.1 t -58.72 -31.99 68.78 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -176.447 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 p -73.68 -25.0 60.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.966 0.412 . . . . 0.0 111.216 178.244 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -87.58 -21.15 25.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.214 0.53 . . . . 0.0 110.016 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -77.02 -29.28 55.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.214 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 49' ' ' THR . 13.0 m -79.39 -15.4 13.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.829 0.347 . . . . 0.0 111.285 -176.213 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -102.3 116.94 33.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.173 0.511 . . . . 0.0 110.391 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.4 t -88.11 129.14 35.39 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.7 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.406 ' HA ' ' SD ' ' A' ' 62' ' ' MET . 21.2 m -85.55 121.51 28.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.278 -178.536 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.424 HG11 ' HD2' ' A' ' 63' ' ' ARG . 16.9 m -129.87 13.33 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -173.762 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.436 ' HG2' ' CG ' ' A' ' 59' ' ' ASP . 38.3 ttt180 -168.62 -78.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.667 0.27 . . . . 0.0 111.344 177.428 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.436 ' CG ' ' HG2' ' A' ' 58' ' ' ARG . 2.9 p30 -161.03 -66.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.972 0.415 . . . . 0.0 110.795 -176.732 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -105.91 -23.72 12.61 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.429 ' HA ' ' HB3' ' A' ' 102' ' ' GLN . 47.3 t -71.75 111.52 5.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.875 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.406 ' SD ' ' HA ' ' A' ' 56' ' ' SER . 25.9 mmt -114.57 161.45 18.04 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.455 177.818 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.424 ' HD2' HG11 ' A' ' 57' ' ' VAL . 10.7 ptp180 -141.08 142.67 34.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.656 0.265 . . . . 0.0 110.54 175.141 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.93 115.86 7.14 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -178.866 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.82 ' O ' ' HG3' ' A' ' 68' ' ' GLN . . . -86.21 110.89 3.53 Favored Glycine 0 C--O 1.218 -0.873 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.673 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -61.77 -15.13 38.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.12 0.46 . . . . 0.0 111.896 -176.143 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.47 -24.56 65.62 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.718 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.82 ' HG3' ' O ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -64.14 -31.22 72.33 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.271 178.26 . . . . . . . . 3 3 . 1 . 006 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.472 ' HG ' ' OE1' ' A' ' 68' ' ' GLN . 28.5 mt -61.97 -43.27 99.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.777 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.549 ' HA ' ' CD2' ' A' ' 73' ' ' LEU . 42.7 mt-30 -65.79 -33.18 75.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.343 -176.338 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 64.8 mt -75.39 -45.09 41.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.699 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 61.8 mt -68.64 -30.05 68.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.201 -176.336 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.549 ' CD2' ' HA ' ' A' ' 70' ' ' GLN . 4.5 pp -63.15 -24.54 67.94 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.741 0.305 . . . . 0.0 111.078 -178.929 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -64.06 -20.75 66.16 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -104.99 110.85 23.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.189 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -87.24 2.4 50.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -175.913 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.3 pp -99.39 74.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.588 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 41.4 m-80 -56.14 -35.04 66.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.762 -174.245 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -65.11 -45.68 84.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.393 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -82.07 -23.08 36.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.437 0.636 . . . . 0.0 110.111 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 1.064 ' HG ' HD13 ' A' ' 83' ' ' ILE . 21.9 tp -74.72 -24.91 58.81 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.107 176.266 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 70.16 23.45 5.22 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.316 0.646 . . . . 0.0 111.55 177.757 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 1.064 HD13 ' HG ' ' A' ' 81' ' ' LEU . 1.4 mp -86.35 139.13 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 -178.763 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.578 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -71.94 157.55 53.07 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.648 -0.706 . . . . 0.0 113.087 -177.217 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.505 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 47.3 mt-10 -65.84 -47.04 65.86 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -178.853 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.505 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 44.9 Cg_exo -58.68 -21.32 55.21 Favored 'Trans proline' 0 C--N 1.359 1.115 0 C-N-CA 122.005 1.803 . . . . 0.0 112.103 176.323 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.2 mm? -68.07 -35.32 78.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.257 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.595 ' O ' ' HG3' ' A' ' 92' ' ' ARG . 8.7 mp -68.1 -33.7 75.02 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.906 175.263 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.76 -41.56 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.632 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.711 ' HB2' HD11 ' A' ' 8' ' ' ILE . 28.6 t80 -65.25 -32.43 74.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.27 0.557 . . . . 0.0 110.527 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.6 tt -69.93 -26.13 63.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.76 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.595 ' HG3' ' O ' ' A' ' 88' ' ' LEU . 48.9 mtt180 -69.02 -46.72 67.26 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.723 -178.61 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.486 ' O ' HD11 ' A' ' 3' ' ' ILE . 7.0 ptm180 -161.58 157.08 24.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.991 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -95.74 163.91 12.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.834 0.349 . . . . 0.0 110.428 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.4 ' HB2' HG13 ' A' ' 3' ' ' ILE . 9.9 t70 -144.71 -58.46 0.36 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.596 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 90.9 mt -80.52 120.93 80.71 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.31 174.51 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 96' ' ' LEU . 32.2 Cg_exo -58.44 -45.27 31.49 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.732 2.288 . . . . 0.0 112.326 -178.012 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -137.28 109.71 7.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.292 176.897 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 56.0 mt -83.23 106.28 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.93 0.395 . . . . 0.0 109.944 175.877 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.0 p -109.82 143.28 39.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.27 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -127.93 120.17 27.1 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.518 177.75 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.429 ' HB3' ' HA ' ' A' ' 61' ' ' VAL . 13.5 pt20 -154.49 115.46 4.01 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.176 0.513 . . . . 0.0 110.766 -175.11 . . . . . . . . 2 2 . 1 . 006 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -90.64 57.15 3.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.716 0.769 . . . . 0.0 109.247 -176.746 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -119.81 -57.94 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.12 -173.985 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.8 mt 63.02 34.84 13.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.264 -175.798 . . . . . . . . 1 1 . 1 . 006 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.232 -0.89 . . . . 0.0 109.412 176.305 . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 mmt . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 . . . . . . . . . 0 0 . 1 . 007 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 m -110.11 127.4 54.86 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.841 -177.208 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 mm -71.67 140.31 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 174.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.478 ' OG1' ' HB ' ' A' ' 8' ' ' ILE . 27.8 p -90.25 175.59 7.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.036 0.446 . . . . 0.0 111.858 -170.356 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.451 ' O ' HG22 ' A' ' 8' ' ' ILE . 9.6 t -75.44 -169.18 0.95 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.512 -178.387 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.2 m -49.86 -23.65 2.02 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.628 0.771 . . . . 0.0 112.244 -176.42 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.419 ' HA ' ' OE1' ' A' ' 10' ' ' GLN . 4.0 m-20 -52.44 -26.99 14.21 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 122.771 0.428 . . . . 0.0 111.652 176.448 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.688 HG13 ' HB2' ' A' ' 86' ' ' PRO . 20.0 tt -61.69 -47.45 93.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.451 -178.472 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.4 ' N ' HG23 ' A' ' 8' ' ' ILE . 24.2 p -75.73 -26.49 57.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.999 0.428 . . . . 0.0 110.645 178.81 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 10' ' ' GLN . . . . . 0.419 ' OE1' ' HA ' ' A' ' 7' ' ' ASP . 97.0 mt-30 -68.36 -35.0 77.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.466 178.068 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.6 -18.74 62.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.319 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.533 ' HA ' HD13 ' A' ' 15' ' ' LEU . . . -67.97 -17.82 64.55 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.31 0.576 . . . . 0.0 110.526 178.069 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -74.61 -17.17 60.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.806 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.57 6.91 38.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.714 -176.364 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.533 HD13 ' HA ' ' A' ' 12' ' ' ALA . 11.0 mp -80.85 143.9 32.41 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 176.425 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -122.12 138.08 54.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.787 0.327 . . . . 0.0 110.759 -176.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.27 -178.83 18.39 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.814 176.802 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -126.15 160.31 30.54 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -178.346 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.591 HG12 ' CE2' ' A' ' 28' ' ' TYR . 3.7 t -133.69 128.03 53.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.65 172.24 28.87 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.855 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -90.7 130.83 36.66 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.997 0.398 . . . . 0.0 110.886 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.516 ' HB2' HG12 ' A' ' 29' ' ' ILE . 44.8 t-20 -110.28 103.38 12.04 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.339 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -71.75 -21.62 61.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.006 -175.475 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.417 ' O ' ' HD2' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -67.82 -42.37 81.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -177.155 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.49 HG23 ' HG2' ' A' ' 27' ' ' ARG . 9.8 t -94.56 -14.55 24.92 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.655 177.408 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.71 40.16 22.99 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 121.223 -0.513 . . . . 0.0 113.35 174.643 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.49 ' HG2' HG23 ' A' ' 25' ' ' THR . 9.7 ptp180 -154.29 169.12 24.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.995 0.398 . . . . 0.0 111.015 178.104 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.591 ' CE2' HG12 ' A' ' 19' ' ' VAL . 3.3 t80 -88.67 127.28 35.57 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 175.453 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.516 HG12 ' HB2' ' A' ' 22' ' ' ASN . 3.7 pt -128.59 165.33 28.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.208 0.528 . . . . 0.0 111.565 -172.437 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.551 HG21 HD11 ' A' ' 77' ' ' ILE . 28.7 m -96.71 150.4 4.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.83 171.662 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.61 ' HE ' ' HA ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -144.92 132.46 20.89 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.735 . . . . . . . . 3 3 . 1 . 007 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -69.37 -30.39 68.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.806 0.336 . . . . 0.0 111.301 -173.891 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.1 t -136.08 146.57 47.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.49 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -69.34 -27.69 65.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.995 0.426 . . . . 0.0 110.313 177.026 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -72.24 -15.45 61.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.188 -178.38 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.1 m -77.16 6.16 7.05 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -174.412 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -176.38 5.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.567 0.222 . . . . 0.0 111.114 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.72 -122.47 2.41 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 175.141 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -104.4 12.58 33.26 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 173.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.36 -68.84 0.68 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.817 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.4 p -102.84 139.64 23.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.819 0.342 . . . . 0.0 110.568 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.91 158.76 16.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.277 176.403 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.91 -31.63 68.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.301 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.98 -20.08 63.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.293 0.568 . . . . 0.0 110.914 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.8 t -95.0 12.75 27.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.275 0.559 . . . . 0.0 109.764 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 62.4 mt -119.32 138.26 50.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.017 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.2 m -135.83 129.35 18.21 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.608 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.99 132.64 48.54 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.519 2.146 . . . . 0.0 111.294 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.427 HG23 ' HB3' ' A' ' 15' ' ' LEU . 11.7 t -62.21 -25.51 67.84 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -171.692 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 m -65.66 -35.67 81.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.057 0.456 . . . . 0.0 110.81 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -103.13 -12.34 17.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.316 0.579 . . . . 0.0 110.275 -176.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -66.79 -27.58 67.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.319 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.534 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 33.6 m -76.81 -5.56 7.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.808 -176.998 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -101.45 116.68 33.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.445 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.2 t -111.5 140.5 46.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.188 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.3 m -75.03 115.56 14.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.056 -176.479 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.414 HG11 ' HD3' ' A' ' 63' ' ' ARG . 28.2 m -122.6 -3.48 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.899 0.38 . . . . 0.0 111.517 -178.672 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.571 HH21 HG21 ' A' ' 100' ' ' THR . 3.7 tpp180 -137.29 -163.19 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.135 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -56.51 -70.77 0.11 Allowed 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.264 0.352 . . . . 0.0 110.964 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -126.05 19.83 7.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.547 0.689 . . . . 0.0 109.831 172.24 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.654 ' HA ' ' HA ' ' A' ' 102' ' ' GLN . 14.7 t -100.38 127.82 53.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.928 178.767 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 65.8 mtt -109.46 160.41 16.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.692 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.45 ' HA ' ' O ' ' A' ' 99' ' ' ILE . 15.5 ptt180 -119.95 150.8 39.92 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.373 177.99 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.27 109.88 6.31 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 172.507 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -107.79 113.06 3.81 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.912 -177.209 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.614 ' HB3' ' CD2' ' A' ' 90' ' ' TYR . 10.4 ptm180 -68.2 -15.47 63.59 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.596 -0.356 . . . . 0.0 111.524 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -56.54 -28.9 61.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.329 0.585 . . . . 0.0 110.327 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.534 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 9.1 mm-40 -72.51 -42.51 64.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.365 178.084 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.67 ' HB3' HD21 ' A' ' 91' ' ' LEU . 92.6 mt -67.5 -28.67 68.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.963 -178.573 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.578 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 14.3 mm100 -60.31 -36.8 78.76 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.083 0.468 . . . . 0.0 109.759 178.157 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 56.1 mt -69.18 -35.08 66.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.054 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.635 HD12 HD23 ' A' ' 69' ' ' LEU . 64.2 mt -72.07 -38.88 69.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.957 -177.177 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.604 HD23 HD22 ' A' ' 91' ' ' LEU . 4.5 pp -70.47 -26.45 63.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.795 0.331 . . . . 0.0 110.168 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -66.79 -27.52 67.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.447 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.522 ' HG3' HG13 ' A' ' 30' ' ' VAL . 31.5 mm-40 -69.67 -32.07 70.49 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 176.058 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 69.85 13.14 8.02 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.701 174.211 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.551 HD11 HG21 ' A' ' 30' ' ' VAL . 2.0 pp -112.99 54.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.27 0.557 . . . . 0.0 111.53 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.553 ' HA ' HD13 ' A' ' 83' ' ' ILE . 59.5 m-80 -60.77 -27.44 67.98 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.649 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -73.01 -28.1 62.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.872 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -79.23 -54.83 5.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.257 0.551 . . . . 0.0 110.814 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.427 HD23 HD11 ' A' ' 83' ' ' ILE . 12.0 tp -79.84 -19.7 47.75 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.158 -173.898 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.3 m-20 67.12 63.81 0.45 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.755 178.761 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.553 HD13 ' HA ' ' A' ' 78' ' ' ASN . 3.0 mp -77.35 129.86 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 174.761 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.589 ' HA3' HD23 ' A' ' 87' ' ' LEU . . . -62.87 160.67 33.77 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.818 -0.628 . . . . 0.0 113.642 -174.423 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.464 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 37.8 mt-10 -64.23 -53.15 49.4 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 115.506 -0.347 . . . . 0.0 111.663 -177.05 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.688 ' HB2' HG13 ' A' ' 8' ' ' ILE . 25.8 Cg_endo -62.75 -18.53 64.77 Favored 'Trans proline' 0 C--N 1.357 1.013 0 C-N-CA 121.964 1.776 . . . . 0.0 112.104 177.884 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.589 HD23 ' HA3' ' A' ' 84' ' ' GLY . 3.9 mm? -69.9 -36.12 75.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.404 . . . . 0.0 109.973 178.196 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.475 ' HA ' HD12 ' A' ' 91' ' ' LEU . 9.3 mp -67.64 -31.32 71.24 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.033 0.444 . . . . 0.0 110.199 174.997 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 48.8 t -67.65 -38.37 80.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.743 175.341 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.614 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 6.1 t80 -68.68 -23.61 64.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.382 176.893 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.67 HD21 ' HB3' ' A' ' 69' ' ' LEU . 86.7 mt -71.22 -22.36 62.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.65 175.291 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.604 ' HE ' ' HA ' ' A' ' 92' ' ' ARG . 2.4 mmp_? -78.12 -62.39 1.69 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.528 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -146.54 174.84 11.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.773 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -128.06 139.46 52.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.189 172.455 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.8 -33.7 14.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.288 0.566 . . . . 0.0 110.185 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.52 HD12 HG12 ' A' ' 99' ' ' ILE . 95.5 mt -101.97 139.51 20.38 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.653 177.238 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.82 -20.93 71.04 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.681 2.254 . . . . 0.0 111.673 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -173.91 125.31 0.36 Allowed 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.908 177.393 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.52 HG12 HD12 ' A' ' 96' ' ' LEU . 56.3 mt -91.17 104.61 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.301 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.571 HG21 HH21 ' A' ' 58' ' ' ARG . 3.4 p -100.45 137.75 38.44 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -171.169 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -143.05 127.42 17.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.696 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.654 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 27.3 pt20 -83.95 138.0 33.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.843 0.354 . . . . 0.0 110.56 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 103' ' ' ARG . 15.3 mmm-85 -97.26 155.26 16.94 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 178.404 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -79.36 126.15 30.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.037 0.446 . . . . 0.0 110.713 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.62 -4.41 48.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.413 0.625 . . . . 0.0 110.331 176.782 . . . . . . . . 2 2 . 1 . 007 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 . . . . . 0 C--O 1.243 0.728 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.572 178.713 . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 120.753 0.311 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 008 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -69.76 159.82 32.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 -177.625 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.839 HG13 ' HB2' ' A' ' 95' ' ' ASP . 38.8 mm -97.72 152.16 4.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.856 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.2 p -92.12 -176.39 4.37 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.98 0.419 . . . . 0.0 111.322 -176.765 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 m -85.55 -169.58 2.71 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.872 -178.728 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m -50.51 -23.86 2.78 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -173.386 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -54.61 -19.99 7.14 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.461 0.304 . . . . 0.0 111.696 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.663 HD11 ' HB2' ' A' ' 90' ' ' TYR . 13.5 tt -52.87 -43.42 46.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.988 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.454 ' HB3' HG21 ' A' ' 99' ' ' ILE . 28.2 p -75.45 -29.27 59.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.025 0.441 . . . . 0.0 110.697 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -68.36 -34.71 76.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.514 -178.73 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.84 -28.66 68.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.984 178.38 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.728 ' HB2' HD11 ' A' ' 87' ' ' LEU . . . -70.71 -29.71 66.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.108 0.48 . . . . 0.0 110.626 179.003 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -76.66 -18.92 58.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.496 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.69 9.21 35.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.759 -176.57 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.1 mt -70.55 153.08 43.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.369 . . . . 0.0 110.62 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -113.24 158.41 20.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.131 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.47 153.65 29.29 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.628 -0.796 . . . . 0.0 113.152 175.869 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.625 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 77.0 m-85 -111.38 155.72 22.68 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.442 HG22 HG12 ' A' ' 30' ' ' VAL . 2.8 t -120.66 131.89 71.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 175.997 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -129.99 139.65 11.12 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.7 -175.964 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.538 ' HB3' ' HB3' ' A' ' 45' ' ' SER . 78.6 t80 -80.83 103.21 10.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.098 0.475 . . . . 0.0 110.137 178.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.574 ' HA ' HG22 ' A' ' 41' ' ' VAL . 26.0 t-20 -93.9 128.9 40.45 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.234 -178.695 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 -86.89 -7.73 57.92 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -174.189 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -80.19 -28.33 38.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.087 0.47 . . . . 0.0 109.783 176.74 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.6 p -105.22 -16.88 14.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.555 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.81 35.07 84.44 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.416 178.219 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.481 ' HG3' HG23 ' A' ' 29' ' ' ILE . 11.0 ptp180 -154.19 170.03 22.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.2 0.524 . . . . 0.0 111.862 -175.027 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -92.0 105.74 17.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.556 -178.345 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.481 HG23 ' HG3' ' A' ' 27' ' ' ARG . 2.6 pp -117.43 156.76 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 0.0 111.745 -174.602 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.442 HG12 HG22 ' A' ' 19' ' ' VAL . 23.3 m -91.41 138.99 18.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.271 0.558 . . . . 0.0 112.197 -174.915 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 12.0 mmt85 -149.24 131.94 15.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.197 176.932 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -79.64 -40.47 29.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.338 0.59 . . . . 0.0 109.555 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.2 p -93.77 102.92 15.08 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.4 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.495 ' HB3' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.38 -15.54 62.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 177.846 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -80.25 3.73 19.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.226 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 62.4 p -84.1 -5.89 59.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.99 0.424 . . . . 0.0 110.83 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.572 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 65.9 m-85 -107.62 173.22 6.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.968 177.862 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.92 -93.71 0.4 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.175 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 66.3 mtt -110.64 7.05 22.18 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.296 0.569 . . . . 0.0 109.851 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -91.15 -12.56 35.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.695 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.574 HG22 ' HA ' ' A' ' 22' ' ' ASN . 92.8 t -140.09 122.59 16.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.256 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.22 149.97 46.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.318 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -65.5 -39.11 91.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.884 0.373 . . . . 0.0 111.167 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -71.15 -10.7 60.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.838 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.538 ' HB3' ' HB3' ' A' ' 21' ' ' PHE . 19.8 m -92.57 3.84 54.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.438 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.495 HG21 ' HB3' ' A' ' 34' ' ' GLU . 67.1 mt -113.77 118.48 58.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.017 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 94.3 m -141.07 132.91 13.86 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.822 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.625 ' HA ' ' HA ' ' A' ' 18' ' ' PHE . 12.8 Cg_endo -56.04 136.34 74.45 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.001 2.467 . . . . 0.0 111.682 177.651 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.537 ' O ' HG13 ' A' ' 53' ' ' VAL . 14.5 t -64.46 -28.2 69.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.863 0.364 . . . . 0.0 110.686 -176.641 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 p -71.45 -13.38 61.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.468 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -103.64 -30.66 10.32 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.122 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -63.85 -27.63 69.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.695 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.537 HG13 ' O ' ' A' ' 49' ' ' THR . 31.3 m -73.81 -9.7 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.971 178.062 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -105.58 140.8 38.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.059 0.457 . . . . 0.0 110.076 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.653 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . 17.1 m -103.81 96.97 7.05 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 172.326 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.7 t -65.01 115.71 5.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.878 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.5 m -114.67 -24.24 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.274 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -153.14 176.79 11.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.75 -36.79 83.27 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -173.331 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.449 ' OD2' ' HB2' ' A' ' 102' ' ' GLN . 33.1 t70 -116.18 -15.69 11.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.386 0.613 . . . . 0.0 110.531 -179.022 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.5 t -97.14 108.83 22.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.014 -175.067 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -118.66 133.61 55.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.891 174.813 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.653 ' HG3' ' HB2' ' A' ' 55' ' ' SER . 13.2 ptm180 -107.86 142.91 37.2 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 178.634 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 64' ' ' LEU . 1.0 OUTLIER -71.48 116.96 12.44 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.489 . . . . . . . . 3 3 . 1 . 008 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.33 92.38 1.58 Allowed Glycine 0 N--CA 1.442 -0.953 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.915 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -60.48 -15.07 23.28 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -66.83 -23.67 66.07 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 176.459 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.404 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 1.4 pp0? -57.18 -32.75 66.77 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.888 0.375 . . . . 0.0 110.994 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 91' ' ' LEU . 37.3 mt -58.29 -42.64 87.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.007 -175.631 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 87.3 mm-40 -64.46 -38.75 92.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.436 -177.129 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 60.0 mt -74.25 -34.45 37.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.831 -177.43 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 26.9 mt -75.08 -39.27 60.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.337 -179.387 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.68 -25.44 65.69 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -176.311 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -80.9 -9.45 59.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.82 0.343 . . . . 0.0 111.429 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -80.82 -30.56 35.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.673 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 84.2 m-20 75.95 -30.19 0.19 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.753 0.821 . . . . 0.0 112.156 175.006 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.689 ' HB ' ' HB2' ' A' ' 80' ' ' ARG . 2.2 pp -86.34 63.42 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-O 121.752 0.787 . . . . 0.0 112.836 -170.846 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -59.42 -35.23 73.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.594 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -62.3 -28.22 69.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.305 0.574 . . . . 0.0 110.746 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.689 ' HB2' ' HB ' ' A' ' 77' ' ' ILE . 80.3 mtt180 -87.14 -42.14 13.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.431 -174.92 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 41.3 tp -95.05 -28.78 14.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.691 0.281 . . . . 0.0 111.346 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 17.0 m120 64.73 86.57 0.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.619 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.4 mp -84.38 133.3 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.285 176.829 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -56.55 150.11 27.03 Favored Glycine 0 C--N 1.331 0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 113.4 -176.417 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.562 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 38.3 tt0 -63.89 -48.4 78.81 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 111.519 0.192 . . . . 0.0 111.519 -178.387 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' A' ' 85' ' ' GLU . 31.4 Cg_exo -63.49 -17.6 60.73 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 121.728 1.619 . . . . 0.0 111.757 175.294 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.728 HD11 ' HB2' ' A' ' 12' ' ' ALA . 3.8 mm? -80.09 -33.94 38.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.623 178.059 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.421 ' O ' ' HG2' ' A' ' 92' ' ' ARG . 96.6 mt -63.91 -39.43 94.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.618 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 22.8 m -76.01 -33.75 25.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.663 ' HB2' HD11 ' A' ' 8' ' ' ILE . 15.8 t80 -63.89 -36.95 85.6 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.178 0.513 . . . . 0.0 110.146 177.58 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.491 ' HA ' HD13 ' A' ' 69' ' ' LEU . 9.9 tt -64.65 -32.86 74.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.161 178.094 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 88' ' ' LEU . 18.4 mmm180 -74.5 -50.02 19.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 -178.55 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -152.56 132.43 13.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.154 0.502 . . . . 0.0 110.309 176.998 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -86.11 101.72 13.22 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.131 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.839 ' HB2' HG13 ' A' ' 3' ' ' ILE . 33.8 t70 -74.54 -32.22 62.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.084 178.182 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.6 mp -115.16 114.21 43.44 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 174.862 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.49 -57.84 1.74 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 123.053 2.502 . . . . 0.0 112.88 -176.066 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -133.35 100.97 4.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.884 0.373 . . . . 0.0 110.183 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.454 HG21 ' HB3' ' A' ' 9' ' ' CYS . 54.4 mt -80.43 115.6 23.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.631 -178.624 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.7 p -109.96 133.19 53.44 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.092 0.472 . . . . 0.0 111.118 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -121.95 139.22 53.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.499 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.449 ' HB2' ' OD2' ' A' ' 60' ' ' ASP . 7.9 pt20 -153.56 149.52 27.73 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.638 ' O ' ' HG2' ' A' ' 104' ' ' GLN . 4.1 mmp_? -109.11 -19.9 13.19 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -173.661 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.638 ' HG2' ' O ' ' A' ' 103' ' ' ARG . 3.2 pt20 66.59 146.67 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.352 1.061 . . . . 0.0 111.21 -178.141 . . . . . . . . 2 2 . 1 . 008 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 29.0 tp -124.27 15.22 9.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.489 0.661 . . . . 0.0 109.449 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 106' ' ' ARG . 8.4 tpt180 . . . . . 0 C--O 1.246 0.888 0 CA-C-O 118.498 -0.763 . . . . 0.0 109.693 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.3 mtp . . . . . 0 N--CA 1.483 1.225 0 CA-C-O 120.658 0.266 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 009 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 m -80.07 -178.72 6.66 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 174.501 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.7 mm -68.73 147.93 11.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.552 ' OG1' ' HB3' ' A' ' 86' ' ' PRO . 40.7 p -91.45 -175.08 4.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.951 0.405 . . . . 0.0 111.524 -174.262 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 m -77.17 -169.73 1.46 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.7 m -50.93 -21.77 1.91 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.843 0.857 . . . . 0.0 112.546 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -51.84 -21.78 3.18 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 122.61 0.364 . . . . 0.0 111.807 176.263 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.73 HG13 ' HB2' ' A' ' 86' ' ' PRO . 18.9 tt -57.57 -38.56 64.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.92 0.391 . . . . 0.0 110.871 178.02 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 50.5 m -75.87 -30.72 58.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.084 0.469 . . . . 0.0 110.579 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -73.22 -42.51 62.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.087 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.98 -27.56 69.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.069 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.538 ' HB1' HG21 ' A' ' 53' ' ' VAL . . . -65.87 -20.96 66.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.163 178.754 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -80.44 -22.19 41.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.462 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.73 -10.0 59.62 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.682 -175.954 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.615 ' O ' ' HB2' ' A' ' 50' ' ' SER . 10.4 mp -67.85 120.22 13.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.29 177.565 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -116.65 151.38 36.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.901 0.381 . . . . 0.0 110.497 177.654 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 128.68 147.62 6.48 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -174.51 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.545 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 56.2 m-85 -111.3 126.0 54.44 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -176.9 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.0 t -94.63 124.8 47.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -177.587 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.32 148.39 20.09 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.82 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -85.23 118.34 24.72 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.541 ' OD1' ' HG2' ' A' ' 24' ' ' LYS . 46.3 t-20 -93.62 122.88 36.52 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.074 0.464 . . . . 0.0 110.166 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -64.38 -32.0 73.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.937 -175.484 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.541 ' HG2' ' OD1' ' A' ' 22' ' ' ASN . 18.3 ptpt -87.37 -16.63 34.42 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.458 -0.497 . . . . 0.0 112.037 -173.298 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.486 ' OG1' ' HB3' ' A' ' 22' ' ' ASN . 25.4 p -105.66 -26.13 11.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.045 0.45 . . . . 0.0 110.675 176.878 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.09 20.95 71.84 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.112 177.973 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -122.82 149.93 43.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.934 0.397 . . . . 0.0 110.953 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -88.48 96.59 10.67 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 171.58 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.4 pp -117.39 179.17 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -167.1 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.8 p -100.7 131.4 48.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.61 0.719 . . . . 0.0 111.221 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -125.71 136.5 53.26 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.362 175.732 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -90.73 4.17 52.29 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.274 0.559 . . . . 0.0 110.136 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -132.32 122.12 24.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.475 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -69.44 -41.2 76.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.394 0.616 . . . . 0.0 110.455 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -85.56 21.91 1.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.107 -173.562 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.5 p -77.85 -11.58 59.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.31 0.576 . . . . 0.0 110.062 176.878 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -126.35 140.92 52.12 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.439 -0.801 . . . . 0.0 108.963 174.392 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.3 -93.22 1.81 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.404 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 26.6 ptm -102.36 11.77 37.57 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.439 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.28 -60.53 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.629 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.7 t -114.37 135.26 54.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.529 -174.965 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.12 136.03 56.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.234 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -68.16 -14.95 63.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.209 -175.856 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -68.8 -29.28 67.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.0 0.428 . . . . 0.0 110.509 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.6 t -84.62 -24.71 29.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.501 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.4 mt -85.87 99.89 8.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.018 0.437 . . . . 0.0 110.123 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.5 m -121.55 129.19 25.31 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.018 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.545 ' HA ' ' HA ' ' A' ' 18' ' ' PHE . 16.4 Cg_endo -58.72 135.53 67.77 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.586 2.191 . . . . 0.0 110.858 173.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.45 HG23 ' HB3' ' A' ' 15' ' ' LEU . 7.1 t -60.1 -30.76 69.46 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -173.655 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.615 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 31.4 t -62.65 -36.53 83.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.156 0.503 . . . . 0.0 110.427 177.533 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -95.42 -1.04 51.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.394 0.616 . . . . 0.0 110.091 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -90.66 -31.68 16.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.658 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.538 HG21 ' HB1' ' A' ' 12' ' ' ALA . 9.0 m -84.37 -7.94 11.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.017 -177.491 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -107.13 125.01 50.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.561 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.8 m -125.21 108.84 12.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.701 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.516 ' HA ' ' HA ' ' A' ' 62' ' ' MET . 35.3 m -64.86 115.89 5.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.984 0.421 . . . . 0.0 110.704 178.445 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.2 m -107.46 2.63 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.417 ' HB3' ' HB ' ' A' ' 61' ' ' VAL . 9.2 ttp180 -152.08 -172.15 4.14 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -53.42 -55.31 26.13 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 111.553 -177.757 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -122.22 -22.34 5.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.047 0.451 . . . . 0.0 110.928 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.541 HG22 ' HB3' ' A' ' 102' ' ' GLN . 32.6 t -71.83 126.17 31.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.211 -177.029 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.516 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 68.9 mtm -111.83 146.81 37.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.745 -177.912 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.594 ' HD2' ' OE1' ' A' ' 98' ' ' GLU . 13.5 tpp180 -101.98 139.6 37.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.63 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -80.19 115.27 19.66 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 174.258 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.642 ' O ' ' HG3' ' A' ' 68' ' ' GLN . . . -68.43 111.19 3.82 Favored Glycine 0 C--O 1.22 -0.759 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.551 -177.804 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -22.68 60.71 Favored 'General case' 0 C--N 1.315 -0.919 0 O-C-N 122.297 -0.531 . . . . 0.0 110.626 171.022 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.37 -24.85 63.03 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.741 -174.766 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.642 ' HG3' ' O ' ' A' ' 65' ' ' GLY . 2.8 pp0? -58.59 -30.42 67.18 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -177.851 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.47 HD13 ' HA ' ' A' ' 91' ' ' LEU . 57.8 mt -55.98 -42.05 75.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.314 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.457 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 67.8 mm-40 -66.93 -34.36 77.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.596 -177.555 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 61.1 mt -77.18 -39.1 28.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.359 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 57.7 mt -70.18 -31.86 69.53 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -175.569 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.1 pp -60.12 -22.97 63.47 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -176.716 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.454 ' N ' HD12 ' A' ' 73' ' ' LEU . 43.4 mm-40 -50.88 -34.31 27.67 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.969 0.414 . . . . 0.0 110.813 176.286 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.923 ' HB2' HD11 ' A' ' 81' ' ' LEU . 67.0 mm-40 -110.62 131.56 54.95 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.794 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 92.7 m-20 -98.83 -0.36 42.65 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.916 -172.836 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.593 HD13 ' HB3' ' A' ' 80' ' ' ARG . 1.0 OUTLIER -85.57 85.89 2.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.449 0.642 . . . . 0.0 111.57 177.949 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -63.17 -37.14 86.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.371 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -63.97 -39.2 93.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.284 0.564 . . . . 0.0 110.654 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.593 ' HB3' HD13 ' A' ' 77' ' ' ILE . 56.3 ttt180 -75.95 -40.96 52.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.408 -177.315 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.923 HD11 ' HB2' ' A' ' 75' ' ' GLN . 90.3 mt -75.59 -12.13 60.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.253 177.871 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 71.63 25.26 3.34 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.981 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.463 HD11 HD13 ' A' ' 72' ' ' LEU . 1.6 mp -61.33 120.12 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.053 0.454 . . . . 0.0 110.034 176.33 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.513 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -75.58 170.53 54.53 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.663 -0.699 . . . . 0.0 113.019 -176.651 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.44 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 5.4 mm-40 -55.13 -53.87 56.75 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -177.453 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.73 ' HB2' HG13 ' A' ' 8' ' ' ILE . 42.9 Cg_endo -67.95 -10.94 30.46 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.104 1.87 . . . . 0.0 112.494 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.513 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.3 mm? -77.63 -28.94 51.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.096 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 mp -68.45 -43.76 76.33 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.801 0.334 . . . . 0.0 110.525 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.474 HG22 ' HA ' ' A' ' 86' ' ' PRO . 35.5 m -73.73 -34.8 41.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.281 -177.498 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.599 ' HB2' HD11 ' A' ' 8' ' ' ILE . 50.3 t80 -60.97 -35.64 77.31 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.114 0.483 . . . . 0.0 110.355 177.955 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.47 ' HA ' HD13 ' A' ' 69' ' ' LEU . 10.5 tt -62.3 -37.17 84.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -74.46 -51.66 14.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.308 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -160.52 164.19 32.26 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.155 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -117.96 129.42 55.59 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.143 0.497 . . . . 0.0 111.073 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.25 -46.34 87.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.171 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 50.2 tp -107.65 108.16 61.22 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.147 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -63.91 -13.57 38.07 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 123.221 2.614 . . . . 0.0 112.889 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.594 ' OE1' ' HD2' ' A' ' 63' ' ' ARG . 8.0 tp10 -139.12 88.97 2.31 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.275 -178.826 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 60.0 mt -92.29 107.57 19.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.466 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.442 HG22 HG12 ' A' ' 61' ' ' VAL . 2.7 m -133.6 120.57 20.89 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.295 176.984 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.06 156.85 43.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.84 0.353 . . . . 0.0 111.448 -173.796 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.541 ' HB3' HG22 ' A' ' 61' ' ' VAL . 30.2 pt20 -124.55 150.48 45.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.884 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -77.76 153.27 33.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.841 0.353 . . . . 0.0 110.157 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.464 ' H ' ' CD ' ' A' ' 104' ' ' GLN . 0.1 OUTLIER -90.64 97.29 11.1 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.676 0.751 . . . . 0.0 110.416 -179.588 . . . . . . . . 3 3 . 1 . 009 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 49.2 tp -85.97 -23.51 26.87 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 175.097 . . . . . . . . 1 1 . 1 . 009 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 . . . . . 0 C--O 1.247 0.925 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.099 177.279 . . . . . . . . 0 0 . 1 . 010 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.417 ' O ' ' HG3' ' A' ' 1' ' ' MET . 14.8 tpt . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 121.2 0.524 . . . . 0.0 110.447 . . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 m -119.53 128.76 54.24 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.119 -0.363 . . . . 0.0 110.741 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.771 HG13 ' HB2' ' A' ' 95' ' ' ASP . 48.6 mm -75.51 144.14 12.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 173.632 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.0 p -91.11 172.62 8.43 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.994 0.426 . . . . 0.0 112.039 -171.08 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.425 ' HB2' ' OD1' ' A' ' 7' ' ' ASP . 16.5 m -75.59 -169.9 1.14 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.208 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.56 -22.95 2.21 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.584 0.754 . . . . 0.0 112.243 -178.024 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 7' ' ' ASP . . . . . 0.425 ' OD1' ' HB2' ' A' ' 5' ' ' SER . 3.2 m-20 -55.2 -21.58 14.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.274 179.001 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.636 HD11 ' HB2' ' A' ' 90' ' ' TYR . 15.7 tt -57.07 -38.62 61.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-O 120.977 0.418 . . . . 0.0 110.536 177.443 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.447 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 58.1 m -75.54 -30.61 59.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.026 0.441 . . . . 0.0 110.808 178.134 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -68.85 -37.65 79.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.217 -178.136 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.97 -22.0 63.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.874 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.48 ' HB1' HG21 ' A' ' 53' ' ' VAL . . . -74.43 -24.49 59.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.209 0.528 . . . . 0.0 110.289 177.437 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -77.45 -21.3 53.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.958 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.54 -5.0 59.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.587 -177.667 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 83' ' ' ILE . 60.9 mt -65.39 129.84 41.18 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -114.83 140.36 49.0 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.985 0.421 . . . . 0.0 110.827 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 135.22 147.13 5.45 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 -177.372 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -111.07 124.51 52.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.935 0.398 . . . . 0.0 110.152 -177.445 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.436 HG22 HG12 ' A' ' 30' ' ' VAL . 18.8 t -95.62 131.76 41.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.266 -176.75 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.35 163.95 29.28 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.26 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -97.13 109.54 22.27 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.445 ' HB2' HG12 ' A' ' 29' ' ' ILE . 52.2 t30 -90.28 122.66 33.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.085 0.469 . . . . 0.0 110.917 -176.886 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -62.42 -20.99 65.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.352 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -66.12 -53.7 34.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.53 0.205 . . . . 0.0 111.047 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.1 t -93.24 -19.64 21.22 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.399 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.65 33.74 63.39 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.627 -177.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -139.96 176.6 8.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.735 0.303 . . . . 0.0 110.294 -177.61 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -82.16 129.3 34.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.187 175.045 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.445 HG12 ' HB2' ' A' ' 22' ' ' ASN . 2.7 pp -133.72 171.4 18.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.147 176.946 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.472 HG21 HD11 ' A' ' 77' ' ' ILE . 27.3 m -123.35 140.51 46.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.211 0.529 . . . . 0.0 110.857 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.419 ' HG3' ' H ' ' A' ' 33' ' ' SER . 15.5 tpp180 -132.05 154.43 49.42 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 176.649 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -102.99 4.42 37.37 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.369 0.604 . . . . 0.0 109.741 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.51 ' HB2' ' OG ' ' A' ' 36' ' ' SER . 4.4 m -125.87 116.57 21.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.109 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -69.25 -32.11 71.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.689 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -72.71 -10.44 59.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.323 -174.739 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.51 ' OG ' ' HB2' ' A' ' 33' ' ' SER . 16.6 m -74.73 -7.02 52.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.056 0.455 . . . . 0.0 111.025 -178.513 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.436 ' HB2' HD11 ' A' ' 46' ' ' ILE . 70.9 m-85 -123.01 106.28 10.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.814 176.861 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.5 -76.12 1.2 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.168 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -104.75 2.64 30.47 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 172.748 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.47 -52.06 50.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.829 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.5 t -133.12 145.56 33.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 114.745 -1.116 . . . . 0.0 108.716 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 42' ' ' ALA . . . . . 0.401 ' O ' HG13 ' A' ' 46' ' ' ILE . . . -66.6 137.17 56.55 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.761 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -63.15 -26.13 68.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.983 0.42 . . . . 0.0 110.673 -177.925 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -70.88 -29.73 65.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.314 175.962 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.8 m -86.0 -18.0 33.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.096 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.436 HD11 ' HB2' ' A' ' 37' ' ' PHE . 59.5 mt -75.78 97.39 1.38 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 174.566 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.6 m -114.03 124.85 30.23 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 -175.76 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -58.49 141.25 97.11 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.548 2.166 . . . . 0.0 110.795 172.28 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.459 ' HA ' ' HB3' ' A' ' 52' ' ' PHE . 6.2 t -64.13 -13.87 51.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.584 0.23 . . . . 0.0 111.577 -177.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.94 -30.28 69.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.107 0.479 . . . . 0.0 110.458 175.678 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -104.75 -27.22 11.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.114 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.459 ' HB3' ' HA ' ' A' ' 49' ' ' THR . 63.2 t80 -57.91 -35.45 71.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.557 -176.319 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.549 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 27.6 m -75.51 -8.79 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -177.581 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.447 ' CH2' ' HB3' ' A' ' 9' ' ' CYS . 97.6 m95 -102.68 124.85 48.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.136 0.493 . . . . 0.0 111.005 -178.891 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.4 t -110.01 111.72 23.28 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.5 t -67.24 115.45 6.92 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.0 m -107.46 -27.1 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -175.589 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -161.25 108.49 1.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.884 0.374 . . . . 0.0 111.953 -178.467 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 55.93 -92.8 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.703 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -111.6 -11.84 13.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.437 0.636 . . . . 0.0 110.021 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.551 ' HA ' ' HB3' ' A' ' 102' ' ' GLN . 30.2 t -71.91 109.51 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.359 -177.813 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 70.1 mtm -99.95 132.15 45.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.317 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -95.56 120.54 35.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.142 177.745 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -70.1 111.77 5.99 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 174.361 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.86 107.61 3.56 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.089 -176.893 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.576 ' HB3' ' CE2' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -68.96 -17.65 63.97 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 122.611 -0.347 . . . . 0.0 111.027 176.337 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.531 ' OE1' ' HD3' ' A' ' 66' ' ' ARG . 1.7 mp0 -56.74 -30.58 63.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.608 0.718 . . . . 0.0 109.986 175.633 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.549 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 12.9 mm-40 -66.5 -31.51 72.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.321 -176.385 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.575 HD13 ' HA ' ' A' ' 66' ' ' ARG . 10.0 mp -63.39 -28.51 70.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -178.923 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 86.6 mm-40 -67.52 -30.84 70.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.727 0.299 . . . . 0.0 110.612 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.532 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 61.8 mt -74.55 -34.89 36.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.408 0.623 . . . . 0.0 110.161 178.267 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.0 mt -74.13 -29.77 61.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.356 0.598 . . . . 0.0 109.908 175.912 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.7 tp -66.88 -38.69 86.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.622 -178.19 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 71' ' ' ILE . 13.5 pt-20 -69.49 -29.25 66.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.945 0.402 . . . . 0.0 110.051 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.414 ' NE2' ' HA ' ' A' ' 29' ' ' ILE . 4.5 tp-100 -69.4 -45.55 68.96 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 175.173 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 65.17 30.97 11.19 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 114.671 -1.149 . . . . 0.0 112.319 169.773 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.472 HD11 HG21 ' A' ' 30' ' ' VAL . 1.8 pp -117.07 55.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.48 0.657 . . . . 0.0 110.826 175.279 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.507 ' HA ' HD13 ' A' ' 83' ' ' ILE . 46.3 t-20 -55.12 -36.2 65.46 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.75 -177.753 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -59.95 -33.5 72.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.394 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -79.45 -54.46 5.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.848 0.356 . . . . 0.0 111.197 -176.366 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.54 -26.51 64.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.988 -177.168 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.6 t30 62.84 83.87 0.15 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.138 -174.904 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.507 HD13 ' HA ' ' A' ' 78' ' ' ASN . 1.9 mp -80.91 128.2 38.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 176.616 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.573 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -55.2 145.47 30.64 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.69 -0.686 . . . . 0.0 113.039 -176.46 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.559 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 2.5 mp0 -55.69 -48.15 97.13 Favored Pre-proline 0 C--N 1.321 -0.66 0 C-N-CA 122.67 0.388 . . . . 0.0 111.643 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.559 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 38.2 Cg_exo -59.73 -26.31 81.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 C-N-CA 122.014 1.809 . . . . 0.0 112.245 175.764 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.573 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.4 mm? -68.89 -35.04 76.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.865 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.666 ' O ' ' HD3' ' A' ' 92' ' ' ARG . 10.4 mp -63.99 -43.46 95.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.714 174.3 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.479 HG12 HD13 ' A' ' 3' ' ' ILE . 16.7 t -63.44 -34.93 70.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.27 0.557 . . . . 0.0 109.97 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.636 ' HB2' HD11 ' A' ' 8' ' ' ILE . 7.0 t80 -64.75 -33.88 77.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.353 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.7 tt -72.2 -32.39 66.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.032 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.666 ' HD3' ' O ' ' A' ' 88' ' ' LEU . 4.2 mpt_? -60.09 -59.71 4.99 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.933 176.79 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.599 ' HG3' HD11 ' A' ' 3' ' ' ILE . 6.6 ptp180 -149.25 131.99 15.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.017 0.437 . . . . 0.0 110.629 173.499 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.45 ' O ' ' HG3' ' A' ' 94' ' ' GLN . 11.4 pt20 -83.14 100.51 10.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.602 0.715 . . . . 0.0 109.992 176.509 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.771 ' HB2' HG13 ' A' ' 3' ' ' ILE . 16.4 t70 -68.25 -41.68 80.78 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 175.985 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.1 mp -117.64 102.63 51.56 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.217 173.231 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -57.2 -43.34 53.77 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.889 2.393 . . . . 0.0 112.265 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -116.48 92.16 3.8 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.531 178.306 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.441 HG21 ' SG ' ' A' ' 9' ' ' CYS . 51.4 mt -83.22 104.8 12.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 175.314 . . . . . . . . 2 2 . 1 . 010 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.4 p -101.42 123.44 45.49 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.736 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.94 136.83 47.64 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.742 -177.632 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.551 ' HB3' ' HA ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -138.02 150.45 46.97 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.119 177.148 . . . . . . . . 3 3 . 1 . 010 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.0 ttm-85 -90.06 -37.99 13.88 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -144.74 163.71 33.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.056 176.732 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 31.1 tp -117.57 -19.97 9.19 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.346 0.593 . . . . 0.0 109.69 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 . . . . . 0 C--O 1.252 1.189 0 CA-C-O 118.474 -0.774 . . . . 0.0 109.542 177.253 . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.755 0.312 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 011 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 m -84.84 161.16 20.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.407 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.636 HG13 ' HB3' ' A' ' 95' ' ' ASP . 38.2 mm -67.77 141.65 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.151 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.421 ' OG1' ' HB ' ' A' ' 8' ' ' ILE . 30.2 p -91.05 -175.19 4.24 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.383 -172.716 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.503 ' O ' HG22 ' A' ' 8' ' ' ILE . 13.2 m -78.59 -170.2 2.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.011 -178.277 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.1 m -50.45 -23.75 2.65 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.642 0.777 . . . . 0.0 112.689 -175.502 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -52.83 -29.89 30.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.4 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.536 HD11 ' HB2' ' A' ' 90' ' ' TYR . 16.5 tt -63.83 -34.78 70.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-O 120.967 0.413 . . . . 0.0 110.811 -179.117 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.3 m -74.51 -39.99 62.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.514 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -74.19 -36.75 64.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.146 -177.106 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.79 -32.51 71.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.438 ' HB2' HD11 ' A' ' 87' ' ' LEU . . . -66.11 -25.67 67.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.896 0.379 . . . . 0.0 111.625 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -86.61 -17.61 33.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.289 0.566 . . . . 0.0 110.028 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.91 2.25 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.197 -175.337 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.416 HD11 ' H ' ' A' ' 84' ' ' GLY . 11.0 mp -66.29 169.37 7.33 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.779 0.323 . . . . 0.0 110.965 177.562 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.454 ' HG2' ' HB2' ' A' ' 82' ' ' ASN . 17.7 ptpt -141.24 157.08 45.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.798 0.333 . . . . 0.0 110.692 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.52 154.43 17.04 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.35 178.273 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -118.75 122.87 43.46 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.51 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 12.1 p -114.04 134.43 56.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.594 -173.909 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.76 175.92 29.54 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.347 -176.388 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -100.64 123.62 45.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.841 0.353 . . . . 0.0 110.9 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.505 ' HB3' HG22 ' A' ' 25' ' ' THR . 24.5 t-20 -94.94 114.58 26.43 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.238 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.445 ' HG2' ' HB3' ' A' ' 40' ' ' ASP . 13.4 ptm180 -71.38 -20.86 62.09 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -172.965 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.494 ' HB2' ' OD1' ' A' ' 40' ' ' ASP . 3.5 ttmp? -76.35 -49.65 16.29 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 122.131 -0.356 . . . . 0.0 110.883 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.505 HG22 ' HB3' ' A' ' 22' ' ' ASN . 12.1 t -81.82 -24.41 35.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.942 0.401 . . . . 0.0 110.72 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.47 40.58 27.43 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.863 175.121 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.491 ' HG2' HG23 ' A' ' 25' ' ' THR . 32.1 ptt180 -154.25 168.02 27.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.867 0.365 . . . . 0.0 110.97 177.987 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.47 ' CE2' HG22 ' A' ' 19' ' ' VAL . 2.2 t80 -96.71 119.99 36.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.784 -174.558 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 pp -130.19 159.55 42.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.712 0.291 . . . . 0.0 111.761 -174.031 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.51 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 8.3 p -116.3 145.21 22.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.84 -178.542 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.47 148.02 45.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.334 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -73.28 -41.35 63.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.422 -176.6 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.2 m -101.19 134.13 44.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.17 -176.47 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -66.33 -45.35 80.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.104 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -61.78 -17.23 55.25 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.915 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.6 m -83.73 25.79 0.75 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.895 0.379 . . . . 0.0 111.469 -175.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -90.34 149.32 22.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.961 0.41 . . . . 0.0 110.117 177.78 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.96 176.6 24.86 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.231 176.174 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 26.3 mmt -69.92 -0.73 7.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.201 0.524 . . . . 0.0 111.019 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.494 ' OD1' ' HB2' ' A' ' 24' ' ' LYS . 14.9 m-20 -82.21 -11.37 58.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.291 175.366 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.2 t -129.44 123.91 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.681 -179.107 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.13 142.57 47.48 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -64.07 -27.37 69.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.61 0.243 . . . . 0.0 111.167 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -71.63 -29.63 64.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.934 0.397 . . . . 0.0 110.371 174.732 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.0 m -82.03 -6.51 59.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.294 -177.404 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.1 mt -69.99 101.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.8 m -101.03 117.18 62.91 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.134 -175.23 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -61.37 130.71 33.02 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.318 2.012 . . . . 0.0 110.299 171.455 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.403 HG23 ' HB3' ' A' ' 15' ' ' LEU . 9.0 t -60.53 -25.77 66.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.485 0.183 . . . . 0.0 111.456 -177.108 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.6 m -68.99 -17.33 63.91 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 120.88 0.371 . . . . 0.0 110.945 177.532 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -115.48 3.31 14.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.176 0.512 . . . . 0.0 110.105 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -93.04 -44.21 8.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.607 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.551 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 34.4 m -68.86 -21.98 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.987 -178.688 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -87.46 115.55 24.96 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 173.819 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.5 t -98.9 111.56 23.92 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.97 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.3 m -74.51 114.1 12.52 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.886 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.1 m -110.84 -4.87 11.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.449 0.642 . . . . 0.0 109.725 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.478 ' HB3' ' HB ' ' A' ' 61' ' ' VAL . 33.9 ttt180 -151.63 166.3 31.65 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -61.43 -51.96 66.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.821 0.343 . . . . 0.0 111.351 -176.493 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -97.82 -32.56 11.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.478 ' HB ' ' HB3' ' A' ' 58' ' ' ARG . 46.0 t -91.52 115.19 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.153 0.501 . . . . 0.0 111.827 -174.279 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.426 ' O ' ' HA ' ' A' ' 100' ' ' THR . 62.4 mtm -108.06 157.94 17.83 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.765 175.298 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -130.24 144.2 51.23 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 176.971 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.537 HD12 ' CE2' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -73.93 118.94 17.47 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 175.353 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -99.88 112.27 4.4 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.114 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.519 ' HA ' HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -70.73 -18.89 62.78 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 122.415 -0.462 . . . . 0.0 111.719 178.407 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -63.17 -23.68 67.54 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.123 0.487 . . . . 0.0 110.814 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.551 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 8.3 mm-40 -67.14 -34.95 78.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.127 -178.881 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 66' ' ' ARG . 8.3 mp -68.3 -27.66 66.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.201 -0.908 . . . . 0.0 111.152 -176.96 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -61.53 -33.79 74.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.658 0.266 . . . . 0.0 111.1 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 71' ' ' ILE . . . . . 0.438 ' O ' ' HG3' ' A' ' 74' ' ' GLU . 64.1 mt -69.22 -39.92 79.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.247 0.546 . . . . 0.0 110.09 178.715 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.5 mt -73.1 -25.18 60.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.593 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.7 tp -68.81 -27.13 65.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.191 -174.347 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.492 ' OE2' ' HB2' ' A' ' 75' ' ' GLN . 0.8 OUTLIER -82.49 -22.12 35.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.174 0.511 . . . . 0.0 110.6 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.492 ' HB2' ' OE2' ' A' ' 74' ' ' GLU . 6.0 tp-100 -108.81 89.11 2.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.678 176.925 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -73.63 84.9 1.59 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.194 0.521 . . . . 0.0 111.328 -176.256 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 pp -135.57 56.49 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.568 174.431 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.44 ' HA ' HD13 ' A' ' 83' ' ' ILE . 24.4 m-80 -56.62 -35.37 68.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.806 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -27.56 66.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.109 177.906 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.452 ' HD2' ' HA ' ' A' ' 80' ' ' ARG . 16.6 tpt180 -84.98 -52.4 6.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.837 0.351 . . . . 0.0 111.167 -176.236 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 81' ' ' LEU . 8.1 tt -85.41 -25.38 27.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -174.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.454 ' HB2' ' HG2' ' A' ' 16' ' ' LYS . 5.2 m-20 65.26 72.08 0.43 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.165 0.507 . . . . 0.0 110.778 -175.961 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 78' ' ' ASN . 3.2 mp -77.44 124.27 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 175.956 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.582 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -54.92 141.36 36.83 Favored Glycine 0 N--CA 1.451 -0.339 0 O-C-N 123.577 0.548 . . . . 0.0 112.783 -178.223 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.544 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 2.0 mp0 -58.39 -49.12 95.29 Favored Pre-proline 0 C--N 1.321 -0.643 0 C-N-CA 122.635 0.374 . . . . 0.0 111.91 -177.06 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.544 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 28.5 Cg_exo -63.74 -16.08 52.66 Favored 'Trans proline' 0 C--N 1.358 1.064 0 C-N-CA 121.999 1.799 . . . . 0.0 112.32 177.41 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.582 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.1 mm? -72.29 -32.26 66.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.235 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.49 ' O ' ' HG3' ' A' ' 92' ' ' ARG . 3.5 mm? -63.39 -31.34 72.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.275 0.559 . . . . 0.0 109.589 174.33 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.519 HG12 HD13 ' A' ' 3' ' ' ILE . 54.0 t -68.65 -42.55 83.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.4 177.289 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.537 ' CE2' HD12 ' A' ' 64' ' ' LEU . 12.9 t80 -65.62 -30.49 71.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.83 178.573 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 60.8 tp -69.45 -35.71 75.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.527 177.007 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 88' ' ' LEU . 54.5 mtt180 -58.55 -58.65 7.62 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 121.147 0.498 . . . . 0.0 110.525 178.796 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.442 ' O ' HD11 ' A' ' 3' ' ' ILE . 4.3 ptp180 -144.99 132.06 20.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.286 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -87.06 61.9 7.05 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.443 0.64 . . . . 0.0 109.45 172.745 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.636 ' HB3' HG13 ' A' ' 3' ' ' ILE . 19.1 t70 -53.15 -44.76 68.06 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.525 178.343 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 80.6 mt -96.04 101.2 7.88 Favored Pre-proline 0 N--CA 1.446 -0.641 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 166.033 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -69.04 -18.35 40.45 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.644 2.229 . . . . 0.0 112.666 -171.323 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -150.44 92.76 1.89 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.072 0.463 . . . . 0.0 111.356 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 63.5 mt -75.06 104.73 3.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 168.856 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 62' ' ' MET . 5.6 p -99.02 137.75 37.1 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.233 0.54 . . . . 0.0 111.49 -174.957 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.22 120.68 36.83 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.441 178.385 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.416 ' HB3' HG22 ' A' ' 61' ' ' VAL . 10.8 pt20 -142.47 150.59 40.74 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.691 -178.351 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 103' ' ' ARG . 9.2 mmm180 -78.02 69.14 4.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.352 0.596 . . . . 0.0 110.021 -178.832 . . . . . . . . 2 2 . 1 . 011 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -82.26 126.91 32.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.474 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 22.0 tp -111.08 14.36 21.9 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.614 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 . . . . . 0 C--O 1.25 1.086 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.582 176.789 . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.06 0.457 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 012 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 m -125.04 168.48 13.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.799 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.618 HG13 ' H ' ' A' ' 95' ' ' ASP . 45.5 mm -86.09 137.58 20.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 174.895 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.3 p -91.72 -175.56 4.2 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.213 0.53 . . . . 0.0 111.985 -172.001 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 m -69.75 -168.42 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.255 -177.338 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.5 m -49.44 -22.79 1.27 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.704 0.802 . . . . 0.0 112.541 -176.242 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -52.62 -24.97 9.41 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 122.674 0.39 . . . . 0.0 111.969 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.705 HG13 ' HB2' ' A' ' 86' ' ' PRO . 19.6 tt -62.54 -34.83 67.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 120.911 0.386 . . . . 0.0 110.765 178.086 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.5 t -74.89 -35.23 62.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.217 0.532 . . . . 0.0 110.237 177.045 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -72.99 -34.0 66.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.108 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 11' ' ' ALA . . . . . 0.566 ' HB1' ' HA3' ' A' ' 84' ' ' GLY . . . -62.72 -32.12 73.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.49 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.491 ' HA ' HD13 ' A' ' 15' ' ' LEU . . . -67.69 -19.66 65.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.365 0.603 . . . . 0.0 110.754 178.294 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -85.62 -11.98 52.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.028 178.904 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.87 -1.83 57.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.661 -177.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.607 ' HB3' HG23 ' A' ' 49' ' ' THR . 11.0 mp -71.32 128.76 36.96 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 175.668 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -129.28 143.35 50.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.078 0.466 . . . . 0.0 111.075 -174.895 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.58 166.06 13.21 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.89 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -111.88 132.62 54.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.817 0.341 . . . . 0.0 110.434 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.51 HG23 ' HB ' ' A' ' 49' ' ' THR . 47.8 t -101.79 130.86 50.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.726 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.29 162.54 27.22 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.23 -0.986 . . . . 0.0 112.575 -178.095 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -109.45 114.56 28.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.882 0.372 . . . . 0.0 110.062 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -89.21 101.17 13.83 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.284 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -69.39 -20.95 63.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.791 -174.075 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -53.32 -45.79 69.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.979 0.418 . . . . 0.0 110.79 176.422 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.7 t -105.07 -13.3 15.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.579 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.89 49.88 26.53 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.762 177.403 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -151.1 162.88 40.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.74 -0.271 . . . . 0.0 110.413 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -86.8 138.53 31.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.968 177.973 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.4 pp -132.56 160.33 42.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.691 178.421 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.2 m -118.29 128.7 75.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.161 177.097 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.621 ' HG3' ' HE2' ' A' ' 37' ' ' PHE . 11.1 mmt180 -135.49 164.65 27.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.753 -177.366 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.553 ' HZ ' ' HG3' ' A' ' 80' ' ' ARG . 85.3 m-85 -111.87 -21.95 11.35 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.382 0.61 . . . . 0.0 109.72 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.417 ' HB3' ' HB2' ' A' ' 36' ' ' SER . 36.5 t -106.97 112.92 26.11 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.672 174.748 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.47 -19.08 63.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.674 0.749 . . . . 0.0 109.496 175.464 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -77.07 -13.78 59.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.733 -1.122 . . . . 0.0 110.758 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.417 ' HB2' ' HB3' ' A' ' 33' ' ' SER . 4.4 t -63.66 -33.31 75.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.171 -174.771 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.621 ' HE2' ' HG3' ' A' ' 31' ' ' ARG . 69.6 m-85 -105.75 162.89 13.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.506 178.624 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.32 -130.08 3.03 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.302 -0.951 . . . . 0.0 113.141 -177.106 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -59.79 -21.25 60.56 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -170.896 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -73.54 -31.09 63.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.03 0.443 . . . . 0.0 110.794 -179.318 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.85 127.24 69.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.797 -176.648 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.09 120.5 12.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.293 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -67.48 -18.34 65.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.5 -174.644 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -74.42 -21.67 59.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.319 . . . . 0.0 110.894 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.4 m -81.34 -19.65 42.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.572 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 59.9 mt -73.03 98.14 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.629 178.218 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.7 m -115.94 134.53 22.72 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.234 -172.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -51.95 126.08 19.04 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.846 2.364 . . . . 0.0 111.178 173.161 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.607 HG23 ' HB3' ' A' ' 15' ' ' LEU . 9.6 t -61.89 -25.78 67.76 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -173.191 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.42 ' O ' HG22 ' A' ' 53' ' ' VAL . 31.4 t -64.85 -43.37 93.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.554 0.216 . . . . 0.0 110.836 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.608 ' HA ' ' HD1' ' A' ' 54' ' ' TRP . 34.2 tt0 -87.28 -14.53 40.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.317 0.58 . . . . 0.0 110.258 -178.125 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -67.21 -25.39 66.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.845 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.579 ' HA ' ' HG2' ' A' ' 68' ' ' GLN . 10.7 m -87.29 -3.61 9.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.468 -176.338 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.608 ' HD1' ' HA ' ' A' ' 51' ' ' GLU . 98.1 m95 -99.45 118.38 35.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.009 0.433 . . . . 0.0 110.72 -179.09 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.2 m -90.9 112.89 24.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.195 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.456 ' HA ' ' HG2' ' A' ' 62' ' ' MET . 20.3 m -65.47 124.48 22.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.526 179.325 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.5 m -115.14 7.55 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -177.189 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.446 ' HB3' HG12 ' A' ' 61' ' ' VAL . 29.6 ttm180 -166.39 -77.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.66 178.994 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.431 ' OD1' ' HG2' ' A' ' 58' ' ' ARG . 6.3 m-20 -135.97 -87.11 0.34 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.578 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.414 ' OD2' ' HG2' ' A' ' 103' ' ' ARG . 9.8 t70 -95.59 -23.06 17.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.061 175.664 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.446 HG12 ' HB3' ' A' ' 58' ' ' ARG . 7.5 p -69.78 120.33 17.3 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 CA-C-O 121.732 0.777 . . . . 0.0 110.454 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.456 ' HG2' ' HA ' ' A' ' 56' ' ' SER . 57.3 mtt -126.73 149.44 49.59 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.482 -178.614 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.523 ' HB2' ' HB2' ' A' ' 98' ' ' GLU . 31.3 ptt180 -111.35 146.63 36.76 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.684 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.542 ' HB2' ' HB ' ' A' ' 99' ' ' ILE . 0.8 OUTLIER -63.09 110.5 1.85 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 177.666 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.697 ' O ' ' HG3' ' A' ' 68' ' ' GLN . . . -87.29 120.07 5.42 Favored Glycine 0 N--CA 1.439 -1.11 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.26 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.3 ptm85 -70.76 -13.05 61.91 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 117.412 0.606 . . . . 0.0 110.985 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' HG3' ' H ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -65.25 -27.27 68.53 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -178.372 . . . . . . . . 3 3 . 1 . 012 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.697 ' HG3' ' O ' ' A' ' 65' ' ' GLY . 3.3 pp0? -65.34 -30.16 70.97 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 111.086 174.915 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.62 ' HG ' ' NE2' ' A' ' 68' ' ' GLN . 81.6 mt -60.97 -30.92 70.54 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.795 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 13.5 mm-40 -69.3 -34.04 74.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.878 0.37 . . . . 0.0 110.339 178.641 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.8 mt -73.63 -48.22 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.222 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.67 -27.6 69.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.939 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.5 tp -56.93 -28.7 62.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.049 -178.627 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -82.06 -13.46 57.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.9 0.381 . . . . 0.0 111.091 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -122.25 90.85 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.84 0.352 . . . . 0.0 110.091 -179.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 6.9 m-20 -79.75 35.13 0.29 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.191 0.519 . . . . 0.0 111.653 -174.813 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.418 ' H ' HG13 ' A' ' 77' ' ' ILE . 1.7 pp -93.81 53.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.267 -179.037 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.544 ' HA ' HD13 ' A' ' 83' ' ' ILE . 2.5 m-20 -58.72 -31.52 68.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.338 -178.602 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -68.25 -29.17 67.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.349 0.595 . . . . 0.0 110.912 177.62 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.553 ' HG3' ' HZ ' ' A' ' 32' ' ' PHE . 3.9 tpt180 -81.35 -51.63 8.14 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.479 -175.73 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.4 tp -89.55 -22.21 22.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.311 -173.177 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.3 t30 64.13 85.49 0.14 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.063 -177.379 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.544 HD13 ' HA ' ' A' ' 78' ' ' ASN . 2.4 mp -88.87 132.0 34.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.321 176.669 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.566 ' HA3' ' HB1' ' A' ' 11' ' ' ALA . . . -56.9 146.48 35.4 Favored Glycine 0 N--CA 1.452 -0.268 0 O-C-N 123.624 0.577 . . . . 0.0 113.195 -176.88 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.597 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 17.2 tp10 -54.24 -56.03 30.67 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.084 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.705 ' HB2' HG13 ' A' ' 8' ' ' ILE . 11.2 Cg_exo -72.24 -1.53 10.26 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 121.947 1.765 . . . . 0.0 112.993 -177.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.523 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.9 mm? -73.71 -28.91 61.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 176.848 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.3 mp -66.18 -45.9 79.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.731 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.8 m -71.75 -34.29 51.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.996 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.517 ' HB2' HD11 ' A' ' 8' ' ' ILE . 36.8 t80 -59.55 -35.81 74.96 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.354 0.597 . . . . 0.0 109.935 175.413 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.523 HD12 HD22 ' A' ' 69' ' ' LEU . 7.1 tt -67.75 -50.52 56.83 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.931 176.987 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.0 mmt85 -54.94 -53.51 54.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.955 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.429 ' O ' HD11 ' A' ' 3' ' ' ILE . 13.0 ttm180 -166.86 115.06 0.84 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.047 0.451 . . . . 0.0 109.935 174.763 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -78.91 120.31 23.33 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.737 -177.864 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.618 ' H ' HG13 ' A' ' 3' ' ' ILE . 26.8 t70 -75.15 -27.73 59.85 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 175.853 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 94.5 mt -99.38 123.57 47.93 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.078 171.992 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.01 -30.36 93.16 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.705 2.27 . . . . 0.0 111.936 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.523 ' HB2' ' HB2' ' A' ' 63' ' ' ARG . 9.2 pt-20 -166.57 122.75 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.173 176.361 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.542 ' HB ' ' HB2' ' A' ' 64' ' ' LEU . 67.3 mt -78.61 113.83 18.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.706 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.8 p -95.03 127.79 41.36 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.167 0.508 . . . . 0.0 111.42 -176.035 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.98 127.57 38.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.484 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -147.62 138.95 23.7 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.638 176.344 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.414 ' HG2' ' OD2' ' A' ' 60' ' ' ASP . 12.1 ptm180 -95.95 -177.07 3.89 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.102 0.477 . . . . 0.0 110.031 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.456 ' HG3' ' H ' ' A' ' 106' ' ' ARG . 27.7 pt20 -137.92 174.7 10.29 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 174.632 . . . . . . . . 2 2 . 1 . 012 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.8 tp -96.64 22.25 8.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.833 0.825 . . . . 0.0 109.518 178.66 . . . . . . . . 1 1 . 1 . 012 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.456 ' H ' ' HG3' ' A' ' 104' ' ' GLN . 91.9 mtt180 . . . . . 0 C--O 1.247 0.926 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.237 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.8 ttp . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 120.652 0.263 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 013 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m -70.33 142.21 52.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.665 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.891 HG21 ' HB2' ' A' ' 95' ' ' ASP . 42.4 mm -70.75 141.84 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.057 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.5 p -98.24 174.39 6.53 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.357 0.599 . . . . 0.0 112.315 -174.02 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 m -80.74 -164.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.946 174.387 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.7 m -47.89 -20.05 0.28 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.601 0.761 . . . . 0.0 112.567 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -50.17 -30.54 11.59 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.705 0.402 . . . . 0.0 110.947 175.326 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.643 HD11 ' HB2' ' A' ' 90' ' ' TYR . 16.8 tt -58.26 -34.75 50.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.097 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.435 ' HG ' ' HH2' ' A' ' 54' ' ' TRP . 41.5 t -74.19 -39.49 63.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.621 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -74.16 -36.73 64.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 -176.622 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.72 -19.09 65.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.488 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.6 -16.69 62.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.136 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -94.51 -9.03 36.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.436 0.636 . . . . 0.0 110.054 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.25 -8.22 59.71 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.804 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 83' ' ' ILE . 14.3 mt -68.23 135.75 52.47 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 176.252 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.523 ' HE2' ' OD1' ' A' ' 82' ' ' ASN . 61.1 pttt -132.78 133.78 43.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.354 0.597 . . . . 0.0 111.389 -179.017 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.38 166.35 11.66 Favored Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.425 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.423 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 77.5 m-85 -113.12 137.39 51.51 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.799 0.333 . . . . 0.0 110.19 -178.729 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.9 t -105.41 124.45 60.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 174.973 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -142.33 164.04 27.01 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.297 -0.954 . . . . 0.0 112.74 -174.125 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -98.3 116.56 30.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.819 0.342 . . . . 0.0 110.367 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 22' ' ' ASN . . . . . 0.438 ' OD1' HG22 ' A' ' 25' ' ' THR . 26.6 t-20 -90.89 119.81 31.39 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 176.09 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.509 ' HD3' ' OD1' ' A' ' 40' ' ' ASP . 4.4 ptm180 -78.91 -16.0 57.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.341 -172.343 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.87 ' HE2' ' HA ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -72.8 -55.61 6.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.665 0.269 . . . . 0.0 110.399 -179.641 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.45 HG23 ' H ' ' A' ' 27' ' ' ARG . 12.2 t -84.52 -15.42 45.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.001 0.429 . . . . 0.0 110.127 177.497 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.27 22.42 78.54 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.403 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.45 ' H ' HG23 ' A' ' 25' ' ' THR . 1.2 mmp_? -114.64 156.38 24.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.732 0.301 . . . . 0.0 110.406 -176.06 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -96.21 105.29 17.32 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 pp -122.76 178.49 3.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.182 0.515 . . . . 0.0 112.307 -167.254 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.454 HG11 HD22 ' A' ' 81' ' ' LEU . 34.6 m -107.53 148.92 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.856 -179.443 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -152.34 132.13 13.23 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -86.03 -30.23 22.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.188 0.518 . . . . 0.0 109.882 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 m -81.1 112.51 18.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.709 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -28.22 66.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.21 0.528 . . . . 0.0 109.784 177.071 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.95 -13.26 32.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.709 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.3 m -77.64 55.88 1.39 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.904 0.383 . . . . 0.0 111.326 -178.426 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.4 ' HA ' ' HB ' ' A' ' 41' ' ' VAL . 3.3 p90 -145.94 -178.2 6.0 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 176.919 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 167.9 -120.19 0.89 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.724 -0.75 . . . . 0.0 111.966 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.9 ptp -94.93 -25.0 16.73 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.775 0.321 . . . . 0.0 110.404 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.509 ' OD1' ' HD3' ' A' ' 23' ' ' ARG . 3.6 m-20 -89.32 -12.49 40.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.048 178.515 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.4 ' HB ' ' HA ' ' A' ' 37' ' ' PHE . 57.4 t -118.95 109.56 27.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.633 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.5 135.06 49.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.805 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -67.67 -29.95 69.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.426 -175.933 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -69.07 -24.37 64.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.395 0.617 . . . . 0.0 110.068 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.451 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 24.8 m -90.42 11.38 21.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.728 -174.509 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.2 mt -110.04 106.66 21.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.392 174.637 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.1 m -119.05 117.31 33.61 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.712 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 18' ' ' PHE . 45.6 Cg_exo -55.27 132.6 53.19 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.481 2.121 . . . . 0.0 111.056 175.423 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.9 t -62.49 -20.5 64.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.636 0.255 . . . . 0.0 111.428 -175.87 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.48 -23.97 67.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.162 0.506 . . . . 0.0 110.673 177.437 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -116.37 -18.69 10.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.502 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -59.56 -38.89 82.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.511 -177.26 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.9 m -74.48 -10.44 13.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.713 0.292 . . . . 0.0 111.544 -177.573 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.435 ' HH2' ' HG ' ' A' ' 9' ' ' CYS . 99.7 m95 -100.35 116.79 33.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.035 0.445 . . . . 0.0 110.963 -179.471 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.731 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . 18.7 m -86.86 117.51 25.65 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 174.973 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.8 p -79.95 114.94 19.24 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.172 0.511 . . . . 0.0 110.641 -178.055 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.4 m -106.58 -16.33 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.513 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 34.8 mmt180 -146.11 -75.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.55 178.575 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 58' ' ' ARG . 33.0 t70 163.16 -53.81 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 114.081 -1.418 . . . . 0.0 107.854 -176.059 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.467 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 10.9 t70 -75.46 -37.63 60.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.513 -1.221 . . . . 0.0 108.792 175.1 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.7 t -98.92 125.72 52.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.42 178.858 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 67.4 mtt -131.84 144.81 51.17 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 176.14 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.731 ' HG3' ' HB2' ' A' ' 55' ' ' SER . 7.9 ptp180 -115.0 143.67 44.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.68 0.276 . . . . 0.0 110.973 179.228 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.8 116.45 24.9 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.98 121.68 6.63 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.918 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 66' ' ' ARG . 13.9 mtm-85 -70.95 -36.88 72.77 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 122.459 -0.436 . . . . 0.0 111.083 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -57.25 -23.83 50.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.142 -177.287 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -62.7 -42.79 99.82 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.801 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.3 mt -70.73 -28.75 64.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.237 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.515 ' HA ' ' CD2' ' A' ' 73' ' ' LEU . 53.7 mt-30 -68.93 -22.11 64.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.675 177.772 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 71.6 mt -75.44 -37.16 37.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.201 0.524 . . . . 0.0 110.043 172.925 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.7 mt -75.53 -30.9 59.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.879 -175.232 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.515 ' CD2' ' HA ' ' A' ' 70' ' ' GLN . 4.5 pp -64.36 -23.37 67.27 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 121.181 -0.208 . . . . 0.0 111.092 -179.222 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -56.62 -34.5 67.31 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.013 176.549 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.454 ' HB3' HG13 ' A' ' 77' ' ' ILE . 26.7 mp0 -87.77 -36.87 17.06 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.807 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 72.04 7.61 5.82 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.689 171.527 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.588 ' HB ' ' HB3' ' A' ' 80' ' ' ARG . 1.4 pp -85.44 72.0 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.676 0.75 . . . . 0.0 111.811 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.612 ' HA ' HD13 ' A' ' 83' ' ' ILE . 38.0 m-80 -60.65 -38.92 86.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.62 -177.627 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -76.15 -28.67 57.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.696 0.284 . . . . 0.0 110.96 -177.663 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.588 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 61.2 ttt180 -69.32 -54.81 12.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.023 0.439 . . . . 0.0 110.582 -179.335 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 83' ' ' ILE . 20.6 tp -86.83 -15.55 38.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.328 -175.798 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.523 ' OD1' ' HE2' ' A' ' 16' ' ' LYS . 0.9 OUTLIER 69.36 57.76 0.35 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.08 -179.405 . . . . . . . . 3 3 . 1 . 013 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.612 HD13 ' HA ' ' A' ' 78' ' ' ASN . 3.3 mp -73.7 125.78 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 176.419 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.651 ' HA3' HD23 ' A' ' 87' ' ' LEU . . . -64.81 150.2 51.44 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.823 -0.626 . . . . 0.0 113.308 -176.523 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.548 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 46.6 mt-10 -71.22 -45.35 14.05 Favored Pre-proline 0 C--N 1.322 -0.619 0 C-N-CA 122.316 0.246 . . . . 0.0 111.425 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.548 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 51.6 Cg_exo -57.59 -21.9 48.94 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 121.845 1.697 . . . . 0.0 111.726 171.655 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.651 HD23 ' HA3' ' A' ' 84' ' ' GLY . 3.6 mm? -78.45 -37.05 44.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.668 177.28 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.2 mt -66.35 -39.34 89.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.828 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.468 HG22 ' HA ' ' A' ' 86' ' ' PRO . 18.6 m -70.35 -32.78 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.458 178.913 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.643 ' HB2' HD11 ' A' ' 8' ' ' ILE . 13.2 t80 -64.28 -29.15 70.25 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.347 0.594 . . . . 0.0 109.98 176.389 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.1 tp -73.43 -31.3 63.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.08 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -68.0 -62.52 1.37 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 175.92 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 62.3 mtm180 -146.45 168.09 22.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.355 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -124.19 127.5 47.82 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.215 0.531 . . . . 0.0 110.63 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.891 ' HB2' HG21 ' A' ' 3' ' ' ILE . 19.5 t70 -74.32 -30.4 62.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.089 -179.082 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.431 HD12 HG12 ' A' ' 99' ' ' ILE . 95.9 mt -112.04 143.57 29.0 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.179 175.512 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -51.73 -43.47 50.93 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.654 2.236 . . . . 0.0 111.947 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -148.09 114.57 5.96 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 173.59 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.431 HG12 HD12 ' A' ' 96' ' ' LEU . 32.1 mt -72.62 104.03 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 119.464 -0.894 . . . . 0.0 109.532 175.124 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.533 HG23 ' HB3' ' A' ' 63' ' ' ARG . 1.6 m -122.66 120.74 34.6 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 176.712 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -118.43 126.05 51.24 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.143 0.497 . . . . 0.0 110.24 -173.675 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 104' ' ' GLN . 13.4 pt20 -122.78 150.41 42.84 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.977 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -69.25 -40.71 77.7 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.3 -175.605 . . . . . . . . 1 1 . 1 . 013 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.58 ' O ' ' HG3' ' A' ' 102' ' ' GLN . 26.3 pt20 -83.82 167.21 17.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.351 176.481 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.862 ' HG ' ' HG3' ' A' ' 106' ' ' ARG . 2.7 pt? -88.15 -26.27 22.53 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.244 -177.38 . . . . . . . . 2 2 . 1 . 013 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.862 ' HG3' ' HG ' ' A' ' 105' ' ' LEU . 63.9 mtt180 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.096 -0.955 . . . . 0.0 110.43 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptp . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.892 0.377 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 014 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -97.8 155.85 16.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.138 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.651 HG13 ' HB2' ' A' ' 95' ' ' ASP . 48.0 mm -69.56 134.32 30.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.928 0.394 . . . . 0.0 110.509 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.8 p -92.94 -175.2 3.81 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.394 -176.657 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.453 ' O ' HG22 ' A' ' 8' ' ' ILE . 9.2 t -78.97 -168.36 1.43 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.478 176.564 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.6 m -49.7 -22.36 1.35 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.541 0.736 . . . . 0.0 112.414 -176.312 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.33 -24.26 7.24 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 122.756 0.423 . . . . 0.0 111.38 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.611 HD11 ' HB2' ' A' ' 90' ' ' TYR . 15.1 tt -59.7 -50.89 78.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.54 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.524 ' HB2' ' CH2' ' A' ' 54' ' ' TRP . 26.6 p -75.39 -29.77 59.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.068 0.461 . . . . 0.0 110.008 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -62.64 -39.04 92.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.761 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.92 -30.42 70.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.192 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.633 ' HB2' HD11 ' A' ' 87' ' ' LEU . . . -71.62 -34.91 70.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.387 0.613 . . . . 0.0 110.266 177.6 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -76.72 -17.71 58.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.241 177.038 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.25 6.44 48.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.566 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.1 mt -67.01 160.15 27.12 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 177.246 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HB3' ' NZ ' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -129.79 143.28 50.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.79 0.329 . . . . 0.0 110.96 -178.13 . . . . . . . . 3 3 . 1 . 014 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.38 151.66 7.9 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.941 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -114.04 116.47 29.22 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.427 HG12 ' CD2' ' A' ' 28' ' ' TYR . 2.5 t -95.99 123.99 48.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -176.805 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -141.32 -179.49 18.58 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.24 -175.003 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.528 ' O ' HG21 ' A' ' 41' ' ' VAL . 85.0 t80 -95.97 135.78 37.27 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.767 0.318 . . . . 0.0 110.727 -177.743 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -108.87 117.25 33.71 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 175.213 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -69.49 -29.36 66.98 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -173.152 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -70.45 -49.81 44.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.609 0.242 . . . . 0.0 111.357 -177.946 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.9 p -80.71 -21.16 41.45 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.927 0.394 . . . . 0.0 110.901 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.55 27.4 67.58 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.149 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.435 ' HG3' HG23 ' A' ' 29' ' ' ILE . 16.5 ptm180 -136.2 166.37 23.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.987 0.422 . . . . 0.0 111.076 -176.142 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.427 ' CD2' HG12 ' A' ' 19' ' ' VAL . 6.0 t80 -96.47 115.16 26.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.314 -178.937 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.435 HG23 ' HG3' ' A' ' 27' ' ' ARG . 2.6 pp -127.77 170.31 17.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.983 0.42 . . . . 0.0 112.033 -171.542 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.652 HG11 HD23 ' A' ' 81' ' ' LEU . 61.5 t -98.02 133.0 41.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.146 0.498 . . . . 0.0 111.43 -177.286 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -124.02 168.96 12.14 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 173.9 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -118.37 -4.18 10.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.218 0.532 . . . . 0.0 110.652 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.549 ' HB2' ' HB3' ' A' ' 36' ' ' SER . 6.4 m -103.59 122.15 44.38 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 171.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -64.57 -32.03 73.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.834 0.35 . . . . 0.0 110.978 -178.27 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -107.42 32.18 4.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.456 0.646 . . . . 0.0 110.286 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.549 ' HB3' ' HB2' ' A' ' 33' ' ' SER . 4.6 p -60.13 -42.61 95.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.536 177.884 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.436 ' HB2' HD11 ' A' ' 46' ' ' ILE . 88.8 m-85 -97.77 125.54 42.65 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.489 175.618 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.05 -98.65 2.51 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.252 -0.975 . . . . 0.0 111.833 -178.393 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 21.9 ptp -74.75 -10.95 60.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.326 0.584 . . . . 0.0 109.961 176.38 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.62 -57.86 4.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.503 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 21' ' ' PHE . 60.3 t -135.13 139.67 46.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.422 -177.835 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.75 136.03 57.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.418 0.449 . . . . 0.0 111.155 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -62.15 -20.64 64.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.542 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -68.27 -22.94 64.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.656 176.671 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.7 m -93.03 10.22 32.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.394 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.436 HD11 ' HB2' ' A' ' 37' ' ' PHE . 62.6 mt -112.11 109.77 29.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 175.457 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.0 m -121.41 126.17 26.6 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.215 -172.911 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -55.91 131.24 44.77 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.677 2.251 . . . . 0.0 111.534 175.662 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.482 ' HA ' ' HB3' ' A' ' 52' ' ' PHE . 9.2 t -64.76 -16.07 62.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.776 0.322 . . . . 0.0 111.069 -177.082 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.92 -30.85 71.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.704 177.698 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 51' ' ' GLU . . . . . 0.663 ' HA ' ' HD1' ' A' ' 54' ' ' TRP . 34.2 tt0 -116.85 -16.09 10.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.506 -177.085 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.482 ' HB3' ' HA ' ' A' ' 49' ' ' THR . 67.6 t80 -65.29 -23.12 66.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.227 0.537 . . . . 0.0 110.674 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.597 HG21 ' HB1' ' A' ' 12' ' ' ALA . 35.0 m -79.19 -8.87 11.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.105 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.663 ' HD1' ' HA ' ' A' ' 51' ' ' GLU . 97.0 m95 -101.13 136.24 41.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.511 0.672 . . . . 0.0 111.187 -176.523 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 55' ' ' SER . . . . . 0.482 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 46.1 t -117.92 112.8 20.81 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.678 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.9 t -69.96 121.8 18.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.984 0.421 . . . . 0.0 110.507 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.45 HG11 ' HD3' ' A' ' 63' ' ' ARG . 18.9 m -115.45 3.88 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.004 -178.82 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.544 ' HB2' ' HB ' ' A' ' 61' ' ' VAL . 1.6 mmt180 -161.34 -172.01 3.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.708 178.771 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.87 -47.53 84.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.081 0.467 . . . . 0.0 110.718 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -123.13 -22.4 5.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.389 -177.075 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.544 ' HB ' ' HB2' ' A' ' 58' ' ' ARG . 30.8 t -80.35 119.47 29.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.191 -176.049 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 65.7 mtt -114.35 158.62 21.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.863 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 55' ' ' SER . 29.1 ptt180 -122.13 151.51 40.88 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 64' ' ' LEU . 1.1 tm? -78.07 115.08 17.54 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 173.273 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.74 131.88 10.99 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.151 -174.577 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.2 mtm-85 -69.46 -18.03 63.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.817 0.341 . . . . 0.0 111.472 174.646 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -67.43 -24.4 65.64 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -174.61 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -62.61 -34.92 77.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.214 0.53 . . . . 0.0 110.397 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.5 mt -66.6 -34.08 77.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.72 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.423 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 64.7 mm-40 -60.38 -40.65 91.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.226 -178.96 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 67.6 mt -75.06 -44.0 44.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.998 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 71.9 mt -68.07 -32.88 73.52 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -176.399 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.3 pp -66.16 -26.3 67.36 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.83 0.347 . . . . 0.0 111.059 -178.076 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -68.02 -28.45 67.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.326 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -85.77 -37.97 18.72 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 58.75 55.25 4.77 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.762 0.791 . . . . 0.0 110.446 176.656 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.675 ' HB ' ' HB2' ' A' ' 80' ' ' ARG . 6.9 pt -130.42 49.12 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.184 -0.917 . . . . 0.0 109.542 -176.37 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.56 ' HA ' HD13 ' A' ' 83' ' ' ILE . 25.6 p-10 -53.6 -42.44 67.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.401 -0.818 . . . . 0.0 113.095 -171.993 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -78.46 -29.76 47.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.181 0.515 . . . . 0.0 110.454 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.675 ' HB2' ' HB ' ' A' ' 77' ' ' ILE . 20.8 mtp180 -68.73 -44.02 74.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.103 177.09 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.652 HD23 HG11 ' A' ' 30' ' ' VAL . 2.5 tm? -83.63 -19.42 35.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.024 -178.62 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.492 ' HB2' ' O ' ' A' ' 81' ' ' LEU . 2.9 m-20 77.41 34.82 0.35 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.592 178.587 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.644 HD12 ' HB3' ' A' ' 81' ' ' LEU . 2.5 mp -59.76 121.26 7.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.928 0.394 . . . . 0.0 110.118 176.855 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.598 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -62.64 155.09 41.62 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.285 -0.87 . . . . 0.0 113.496 -176.038 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.55 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 2.0 mp0 -60.47 -47.75 95.47 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 85' ' ' GLU . 20.8 Cg_endo -61.59 -15.98 45.15 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 122.261 1.974 . . . . 0.0 112.746 176.921 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 12' ' ' ALA . 4.1 mm? -72.57 -29.94 63.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.177 178.894 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.5 mp -74.16 -43.81 55.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.199 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 86' ' ' PRO . 19.4 m -65.49 -32.71 59.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.904 0.383 . . . . 0.0 110.425 -178.61 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.611 ' HB2' HD11 ' A' ' 8' ' ' ILE . 85.4 t80 -56.46 -38.24 71.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.981 174.929 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 91' ' ' LEU . 2.9 tm? -73.5 -35.5 65.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.923 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.453 ' HA ' ' NE ' ' A' ' 92' ' ' ARG . 4.0 mmp_? -59.25 -54.29 48.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.085 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.622 ' NH1' ' HA ' ' A' ' 95' ' ' ASP . 3.0 tmm_? -159.95 101.72 1.45 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.064 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -66.56 131.05 45.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.166 0.508 . . . . 0.0 110.039 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.651 ' HB2' HG13 ' A' ' 3' ' ' ILE . 33.5 t70 -84.02 -54.41 4.87 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.544 -179.212 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 2.8 mm? -90.28 128.2 50.22 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 173.163 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 96' ' ' LEU . 52.3 Cg_exo -54.97 -50.79 12.03 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.761 2.307 . . . . 0.0 111.844 -178.958 . . . . . . . . 2 2 . 1 . 014 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -134.94 103.81 5.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.559 176.775 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 61.2 mt -72.68 107.59 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.0 p -96.64 137.46 35.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.547 0.689 . . . . 0.0 112.386 -174.416 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.54 129.71 53.92 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.187 175.495 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -153.03 152.14 31.04 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -176.972 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -55.95 114.35 1.88 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -59.2 144.07 47.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.182 0.515 . . . . 0.0 111.48 -175.412 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.9 tp -75.36 -37.96 60.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.543 -175.492 . . . . . . . . 1 1 . 1 . 014 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 52.9 mtp85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.645 -0.693 . . . . 0.0 110.476 177.808 . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.2 mmm . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 015 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 m -106.44 145.86 31.24 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.498 -178.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.827 HD11 ' HB2' ' A' ' 93' ' ' ARG . 48.2 mm -75.48 145.13 11.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.163 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.9 p -92.54 178.87 5.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.254 0.549 . . . . 0.0 111.612 -177.045 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.415 ' O ' HG22 ' A' ' 8' ' ' ILE . 23.2 t -87.29 -169.61 2.69 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.698 178.182 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 m -50.76 -21.25 1.55 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.752 0.821 . . . . 0.0 112.327 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.62 -27.48 11.43 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 122.868 0.467 . . . . 0.0 111.354 177.492 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.589 HD11 ' HB2' ' A' ' 90' ' ' TYR . 13.7 tt -56.54 -36.48 48.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-O 121.043 0.449 . . . . 0.0 110.969 178.388 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.9 t -74.38 -32.16 62.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.623 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -74.19 -39.43 63.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.356 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.66 -30.32 71.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.443 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.484 ' HB1' HG21 ' A' ' 53' ' ' VAL . . . -67.08 -32.63 73.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.174 0.511 . . . . 0.0 110.593 177.183 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -76.12 -25.24 55.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.986 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.71 14.01 9.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.263 -175.092 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.3 mt -76.33 151.05 36.8 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 176.668 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.522 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 8.3 ptpp? -125.04 147.52 48.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.97 0.414 . . . . 0.0 111.244 -178.545 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.82 146.72 6.92 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.203 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -111.64 118.93 37.02 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.47 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 3.0 t -93.7 131.16 41.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -175.257 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.607 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -137.86 160.08 25.19 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.072 -176.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -91.82 134.16 35.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.929 0.395 . . . . 0.0 110.616 -178.015 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -106.51 111.23 23.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.684 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -76.34 -8.94 58.18 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -174.062 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -81.02 -45.03 17.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.094 0.473 . . . . 0.0 110.376 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.1 p -92.19 -20.71 20.91 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.057 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.27 34.2 46.69 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.118 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -137.13 170.19 16.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.96 0.409 . . . . 0.0 111.022 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -105.4 113.96 27.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.332 -176.666 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.463 ' HA ' ' OE1' ' A' ' 75' ' ' GLN . 2.4 pp -122.68 158.83 26.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.962 0.411 . . . . 0.0 112.084 -172.516 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.47 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 24.5 t -97.61 125.25 50.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.538 -178.081 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -113.6 141.1 47.6 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.102 176.76 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.9 12.0 32.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.56 0.695 . . . . 0.0 109.827 177.109 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 m -136.04 106.37 6.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.297 177.961 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -61.19 -30.52 70.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.07 0.462 . . . . 0.0 111.247 -177.235 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -79.49 15.57 1.26 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.038 -173.921 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 61.2 p -96.91 -6.22 36.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.064 0.459 . . . . 0.0 110.33 178.448 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -140.97 118.81 11.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.545 175.295 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.75 -90.61 2.08 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.014 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -106.04 11.11 31.88 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.176 0.512 . . . . 0.0 109.984 178.345 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -84.02 9.47 12.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.663 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.404 HG22 ' HB2' ' A' ' 45' ' ' SER . 11.6 p -162.44 152.86 3.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.2 140.13 56.08 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 175.787 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -61.03 -32.38 71.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.065 0.459 . . . . 0.0 110.57 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.58 -15.8 63.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.919 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.607 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 67.0 m -94.07 -1.17 54.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.122 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.2 mt -105.21 103.18 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 169.887 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.4 m -129.19 123.6 21.76 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.891 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -56.73 133.67 59.51 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.464 2.109 . . . . 0.0 110.901 173.55 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.534 ' HA ' ' HB3' ' A' ' 52' ' ' PHE . 9.6 t -63.39 -17.56 62.76 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -175.613 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -62.44 -47.39 84.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.169 0.509 . . . . 0.0 109.884 175.766 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -88.41 -17.12 31.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.93 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.534 ' HB3' ' HA ' ' A' ' 49' ' ' THR . 63.4 t80 -63.2 -26.06 68.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 -178.097 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.484 HG21 ' HB1' ' A' ' 12' ' ' ALA . 11.5 m -87.03 -5.81 10.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.995 -178.385 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -112.36 119.61 38.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.1 0.476 . . . . 0.0 111.43 -177.548 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.2 t -99.89 114.04 27.0 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.694 175.529 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.7 p -67.16 117.17 8.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.207 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.412 HG11 ' HD3' ' A' ' 63' ' ' ARG . 25.1 m -109.49 -4.9 10.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.566 -177.787 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.477 ' HB3' HG12 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -164.86 -151.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.587 . . . . . . . . 3 3 . 1 . 015 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.41 ' H ' ' HG3' ' A' ' 58' ' ' ARG . 29.8 t70 -58.17 -59.28 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.336 -173.746 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -127.21 -21.86 3.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.887 0.375 . . . . 0.0 111.143 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.477 HG12 ' HB3' ' A' ' 58' ' ' ARG . 8.9 p -71.98 123.82 27.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-O 121.75 0.786 . . . . 0.0 111.578 -177.49 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 59.1 mtt -117.0 155.13 29.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.087 176.175 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.536 ' HG2' HG22 ' A' ' 100' ' ' THR . 30.0 mtp180 -120.55 147.67 44.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.632 0.253 . . . . 0.0 110.694 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -80.58 123.36 28.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.124 -177.917 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -99.33 120.39 6.84 Favored Glycine 0 CA--C 1.519 0.292 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.298 178.253 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -68.1 -18.34 64.62 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.849 0.357 . . . . 0.0 111.578 -178.523 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.78 -24.35 66.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.708 -176.737 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.544 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 1.5 pp0? -56.72 -39.49 74.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.814 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.535 HD12 ' HG3' ' A' ' 68' ' ' GLN . 5.8 mp -65.8 -36.4 83.41 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.922 0.391 . . . . 0.0 110.696 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.619 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 65.7 mt-30 -73.07 -30.98 64.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -177.281 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.5 mt -74.06 -42.47 52.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-O 120.89 0.376 . . . . 0.0 110.165 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 59.4 mt -67.44 -28.25 67.73 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -177.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.2 pp -66.02 -26.28 67.45 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.047 -178.009 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -80.91 -18.12 48.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.999 0.428 . . . . 0.0 110.769 178.607 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.463 ' OE1' ' HA ' ' A' ' 29' ' ' ILE . 5.9 mm-40 -79.59 -36.35 38.25 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.582 -178.851 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 66.42 10.62 7.43 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.245 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.409 ' H ' HG13 ' A' ' 77' ' ' ILE . 1.9 pp -105.15 40.17 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.578 0.704 . . . . 0.0 110.461 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.471 ' HA ' HD13 ' A' ' 83' ' ' ILE . 2.1 m-20 -55.96 -32.86 64.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.49 -177.745 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -69.98 -32.04 70.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.215 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -84.33 -39.15 19.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.881 0.372 . . . . 0.0 110.854 -174.635 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 8.0 tt -76.03 -22.52 55.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.273 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.5 m120 61.16 73.66 0.47 Allowed 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.791 -178.42 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 78' ' ' ASN . 3.0 mp -77.57 132.16 33.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.689 177.586 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.57 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -61.45 148.34 47.0 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.778 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.541 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 43.0 tt0 -63.41 -49.2 79.87 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -179.202 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 85' ' ' GLU . 12.4 Cg_endo -56.97 -19.44 32.34 Favored 'Trans proline' 0 C--N 1.359 1.092 0 C-N-CA 122.263 1.975 . . . . 0.0 112.57 176.374 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.57 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.0 mm? -70.12 -36.39 74.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.039 177.973 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.9 -32.23 69.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.08 0.467 . . . . 0.0 109.855 175.273 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 62.1 t -65.79 -39.73 85.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.957 175.516 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.589 ' HB2' HD11 ' A' ' 8' ' ' ILE . 68.0 t80 -60.28 -32.08 70.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.881 177.022 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 52.0 tp -68.81 -28.09 66.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.335 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -80.24 -65.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.228 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.827 ' HB2' HD11 ' A' ' 3' ' ' ILE . 27.7 mmt180 -142.43 172.52 12.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.549 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.581 ' OE1' ' HA ' ' A' ' 97' ' ' PRO . 5.7 pt20 -146.05 123.59 11.76 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.346 0.594 . . . . 0.0 111.119 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.807 ' HB2' HG21 ' A' ' 3' ' ' ILE . 11.3 t70 -58.48 -50.16 74.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.734 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.3 mt -119.7 117.49 32.58 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.146 174.816 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.581 ' HA ' ' OE1' ' A' ' 94' ' ' GLN . 55.6 Cg_endo -71.52 -24.87 21.77 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.373 2.048 . . . . 0.0 111.871 -178.226 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -112.87 84.57 2.01 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.054 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 66.4 mt -86.94 114.72 26.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.438 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.536 HG22 ' HG2' ' A' ' 63' ' ' ARG . 18.7 p -109.55 149.54 29.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.839 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -133.72 120.17 20.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.581 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 20.1 pm0 -152.09 145.97 25.16 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.422 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 103' ' ' ARG . 7.6 mmm180 -73.31 148.14 43.82 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.837 0.351 . . . . 0.0 110.577 -176.146 . . . . . . . . 2 2 . 1 . 015 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -69.57 97.35 1.02 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.443 0.639 . . . . 0.0 111.125 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 58.1 tp -91.49 -18.99 23.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.483 176.187 . . . . . . . . 1 1 . 1 . 015 nuclear build full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.683 179.502 . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 120.836 0.35 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 016 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 m -108.76 178.43 4.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.454 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.455 HD11 ' O ' ' A' ' 93' ' ' ARG . 47.2 mm -72.2 149.41 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.17 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.5 p -90.79 -176.67 4.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.951 -176.288 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -75.09 -171.68 1.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -51.88 -23.02 4.3 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.351 0.66 . . . . 0.0 112.067 -177.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -52.36 -26.25 11.86 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.67 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.586 HG13 ' HB2' ' A' ' 86' ' ' PRO . 12.8 tt -58.9 -34.37 52.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 120.908 0.385 . . . . 0.0 110.459 177.732 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.5 m -74.99 -35.76 62.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.116 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -74.0 -34.25 64.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.148 -177.672 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.22 -15.49 62.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.658 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.541 ' HB1' HG21 ' A' ' 53' ' ' VAL . . . -71.47 -15.92 62.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.152 0.501 . . . . 0.0 110.613 176.997 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -79.3 -16.39 56.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.049 178.222 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.32 -15.17 59.54 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.16 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.522 HD13 ' HA ' ' A' ' 12' ' ' ALA . 10.2 mp -65.19 121.2 14.21 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.146 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.64 144.62 43.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.763 -173.36 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.403 ' O ' HG22 ' A' ' 49' ' ' THR . . . 105.66 -173.08 19.91 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.206 -177.932 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.431 ' CZ ' ' HG2' ' A' ' 34' ' ' GLU . 66.9 m-85 -122.45 147.81 45.88 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.941 0.4 . . . . 0.0 110.371 -177.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.55 HG12 ' CD1' ' A' ' 28' ' ' TYR . 11.5 t -105.01 124.03 59.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 171.007 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.508 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -124.61 134.18 8.93 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.054 -1.07 . . . . 0.0 112.757 -174.417 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.506 ' HB3' ' HB3' ' A' ' 45' ' ' SER . 83.6 t80 -80.4 102.85 9.88 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 176.124 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -90.77 109.05 20.24 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.361 -176.313 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.52 ' HG2' HG22 ' A' ' 41' ' ' VAL . 5.9 ptm180 -66.27 -14.03 61.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.603 -178.767 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 24' ' ' LYS . . . . . 0.433 ' HB2' ' HE2' ' A' ' 24' ' ' LYS . 18.0 ttmm -75.31 -35.67 61.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.009 0.433 . . . . 0.0 110.25 -178.338 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.2 p -100.89 -22.14 14.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.672 175.682 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.79 18.21 66.14 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.797 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 27' ' ' ARG . 49.0 mtt180 -140.32 164.98 28.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 110.971 -175.045 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.55 ' CD1' HG12 ' A' ' 19' ' ' VAL . 3.6 m-85 -77.31 135.67 38.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.613 173.37 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 pp -132.59 160.03 42.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.714 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -82.71 135.26 25.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.274 0.559 . . . . 0.0 110.434 176.934 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.546 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 1.1 tpm_? -138.03 132.44 32.18 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.034 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -116.23 10.48 14.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.16 0.505 . . . . 0.0 110.479 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.584 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 7.1 m -118.52 116.66 27.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.869 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.431 ' HG2' ' CZ ' ' A' ' 18' ' ' PHE . 34.3 mt-10 -69.75 -27.69 65.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.331 -176.675 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -100.89 13.34 35.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.59 -177.813 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.584 ' HB2' ' HB2' ' A' ' 33' ' ' SER . 5.0 t -55.83 -58.65 6.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.081 -172.151 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -89.34 138.46 31.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.778 0.323 . . . . 0.0 110.872 -174.738 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.74 -94.25 0.73 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.996 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.65 -3.19 3.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.655 0.264 . . . . 0.0 111.285 178.756 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.518 ' O ' ' HD3' ' A' ' 23' ' ' ARG . 31.4 t70 -65.64 -46.11 80.48 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 174.211 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.52 HG22 ' HG2' ' A' ' 23' ' ' ARG . 49.7 t -106.33 136.07 42.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.785 177.016 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.51 141.93 56.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.731 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -73.27 -18.85 61.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.885 177.374 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.42 -16.04 63.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.112 176.246 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.508 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 49.8 m -91.57 1.21 57.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.715 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.8 mt -99.8 118.39 46.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.245 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.2 m -137.41 124.6 13.87 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.519 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.47 132.97 47.34 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.569 2.179 . . . . 0.0 111.194 177.712 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.472 HG23 ' HB3' ' A' ' 15' ' ' LEU . 10.0 t -65.33 -25.06 67.44 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -173.024 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.0 t -70.87 -30.4 66.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.926 0.393 . . . . 0.0 110.288 177.173 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -90.54 -32.16 16.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.253 0.549 . . . . 0.0 110.185 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -58.33 -29.92 66.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.908 -175.471 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.541 HG21 ' HB1' ' A' ' 12' ' ' ALA . 19.0 m -77.84 -20.34 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.792 0.33 . . . . 0.0 111.353 -177.667 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.407 ' HB3' ' HB3' ' A' ' 62' ' ' MET . 98.0 m95 -102.83 136.71 42.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.943 0.401 . . . . 0.0 110.934 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.7 m -114.63 105.89 13.59 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.898 174.373 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -71.3 115.26 10.25 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.8 m -123.22 -30.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -171.819 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.3 ttt-85 -147.58 124.34 11.2 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.179 -172.257 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 51.82 -102.61 0.13 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.627 0.58 . . . . 0.0 111.698 178.528 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.737 ' HB3' ' HG2' ' A' ' 103' ' ' ARG . 10.9 m-20 -127.44 21.35 6.62 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.793 ' HA ' ' HA ' ' A' ' 102' ' ' GLN . 5.2 t -102.03 118.16 48.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.499 -176.828 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.407 ' HB3' ' HB3' ' A' ' 54' ' ' TRP . 2.5 mpp? -106.68 128.12 53.93 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 177.086 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.56 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 3.6 ptm180 -100.11 147.71 25.37 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 119.754 -0.778 . . . . 0.0 109.693 178.458 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -70.3 113.63 7.65 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.87 94.95 1.0 Allowed Glycine 0 N--CA 1.441 -1.018 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.14 -15.76 4.19 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.976 0.417 . . . . 0.0 112.051 -176.276 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.88 -24.43 66.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.132 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.471 ' HG3' HD12 ' A' ' 69' ' ' LEU . 1.6 pp0? -59.28 -38.46 80.23 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.696 0.284 . . . . 0.0 110.741 -178.928 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.471 HD12 ' HG3' ' A' ' 68' ' ' GLN . 3.9 mp -73.61 -33.29 64.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.746 0.308 . . . . 0.0 110.274 -176.866 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.461 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 82.3 mm-40 -67.89 -33.98 75.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.159 178.29 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.7 mt -75.37 -46.79 37.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.113 176.537 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 25.4 mt -67.93 -25.06 65.28 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -173.886 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.4 pp -62.95 -24.46 67.89 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.537 -177.921 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.407 ' N ' HD12 ' A' ' 73' ' ' LEU . 35.0 mt-10 -74.78 -18.91 60.4 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.034 0.445 . . . . 0.0 110.464 176.107 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -100.72 87.61 3.38 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 172.308 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -70.31 -8.26 49.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.989 -171.761 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.401 ' H ' HG13 ' A' ' 77' ' ' ILE . 1.3 pp -79.79 67.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.3 0.571 . . . . 0.0 112.275 -177.656 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.525 ' HA ' HD13 ' A' ' 83' ' ' ILE . 52.7 m-80 -64.92 -27.87 69.14 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 174.002 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -60.45 -33.24 72.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.858 -1.065 . . . . 0.0 110.941 174.878 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -87.42 -54.01 4.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.3 -172.417 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.7 tp -79.12 -19.88 50.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.903 -176.851 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.1 t30 63.83 85.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.125 -177.629 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.525 HD13 ' HA ' ' A' ' 78' ' ' ASN . 2.7 mp -94.42 132.68 37.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 174.587 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.611 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -56.22 148.03 29.91 Favored Glycine 0 C--N 1.33 0.209 0 CA-C-N 116.202 -0.454 . . . . 0.0 113.394 -175.678 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.452 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 4.0 mp0 -57.79 -52.75 72.12 Favored Pre-proline 0 C--N 1.324 -0.506 0 C-N-CA 122.463 0.305 . . . . 0.0 111.683 -178.045 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.586 ' HB2' HG13 ' A' ' 8' ' ' ILE . 20.2 Cg_endo -62.33 -17.3 56.64 Favored 'Trans proline' 0 C--N 1.358 1.051 0 C-N-CA 121.903 1.735 . . . . 0.0 112.349 177.104 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.611 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.0 mm? -70.23 -41.61 73.34 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 175.164 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.53 ' HA ' HD23 ' A' ' 91' ' ' LEU . 8.6 mp -64.69 -31.2 72.31 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.948 173.594 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.594 ' O ' ' HB2' ' A' ' 92' ' ' ARG . 85.3 t -62.77 -34.33 65.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.191 174.511 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -64.17 -36.76 85.12 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 175.518 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' A' ' 88' ' ' LEU . 2.6 mm? -65.4 -23.95 67.09 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.096 177.171 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.594 ' HB2' ' O ' ' A' ' 89' ' ' VAL . 8.5 mmm180 -59.64 -52.39 65.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.471 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.455 ' O ' HD11 ' A' ' 3' ' ' ILE . 13.4 tpt180 -163.14 123.64 2.31 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.538 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -78.08 72.19 4.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.669 0.747 . . . . 0.0 110.114 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.469 ' O ' ' HD3' ' A' ' 97' ' ' PRO . 20.8 t70 -66.26 -46.87 75.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.782 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.715 HD23 HG12 ' A' ' 99' ' ' ILE . 35.4 tp -97.04 103.12 13.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 176.457 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 97' ' ' PRO . . . . . 0.469 ' HD3' ' O ' ' A' ' 95' ' ' ASP . 8.5 Cg_exo -72.18 -24.1 20.46 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.824 2.35 . . . . 0.0 112.248 -176.155 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -128.51 94.72 3.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.49 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.715 HG12 HD23 ' A' ' 96' ' ' LEU . 54.7 mt -94.19 120.38 43.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.557 171.562 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.56 ' HA ' ' HA ' ' A' ' 63' ' ' ARG . 4.4 m -133.41 120.93 21.56 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -127.8 124.65 38.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.153 0.502 . . . . 0.0 111.16 -176.683 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.793 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 30.2 pt20 -86.44 149.17 25.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.047 178.877 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.737 ' HG2' ' HB3' ' A' ' 60' ' ' ASP . 5.1 ptm180 -89.03 121.46 31.4 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 173.947 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -99.87 83.11 2.68 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.234 0.54 . . . . 0.0 111.311 -172.867 . . . . . . . . 1 1 . 1 . 016 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.796 HD23 ' H ' ' A' ' 105' ' ' LEU . 1.6 pt? -89.51 20.78 3.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.851 174.907 . . . . . . . . 2 2 . 1 . 016 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.422 ' N ' ' HD2' ' A' ' 106' ' ' ARG . 7.6 mpt_? . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.433 -0.794 . . . . 0.0 109.823 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.8 mmt . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 017 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 m -103.48 177.87 4.72 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.451 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.661 HG13 ' HB2' ' A' ' 95' ' ' ASP . 33.4 mm -81.74 159.9 3.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 4' ' ' THR . . . . . 0.4 ' N ' HG22 ' A' ' 3' ' ' ILE . 35.0 p -92.5 -175.32 3.95 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.076 0.465 . . . . 0.0 111.501 -176.458 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 m -75.04 -170.25 1.09 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.326 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.0 m -51.2 -22.4 2.6 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.065 0.546 . . . . 0.0 111.766 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -51.87 -20.56 2.33 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.717 177.43 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.622 HD11 ' HB2' ' A' ' 90' ' ' TYR . 16.2 tt -55.23 -47.7 77.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.7 p -76.04 -29.65 58.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.032 0.444 . . . . 0.0 110.375 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -63.21 -41.13 99.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.569 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.13 79.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.865 178.315 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.439 ' HB2' HD11 ' A' ' 87' ' ' LEU . . . -66.95 -30.49 70.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.02 0.438 . . . . 0.0 110.851 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -75.01 -28.08 60.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.69 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.06 5.78 39.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.855 -176.69 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.538 HD22 ' O ' ' A' ' 82' ' ' ASN . 58.2 mt -71.36 128.73 36.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.828 0.347 . . . . 0.0 110.869 -179.252 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -114.08 145.21 41.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.971 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.578 ' O ' ' HA ' ' A' ' 48' ' ' PRO . . . 133.12 149.12 6.07 Favored Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -177.301 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -111.46 131.77 54.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.324 0.562 . . . . 0.0 110.942 -175.231 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.0 t -108.82 140.38 27.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.377 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.15 176.22 28.88 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.65 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -111.97 114.44 27.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.907 0.384 . . . . 0.0 110.503 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -87.86 107.12 18.53 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.657 ' HG2' ' HB3' ' A' ' 40' ' ' ASP . 9.8 ptp180 -77.86 -13.13 59.99 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -171.606 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -68.94 -46.63 67.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.1 0.476 . . . . 0.0 109.742 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.0 p -88.07 -25.3 23.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.552 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.89 29.68 50.64 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 -177.947 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -130.24 159.77 35.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 -176.086 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -79.23 141.81 36.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.421 173.996 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.7 pt -129.01 156.74 41.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.965 -176.531 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.79 HG11 ' HG ' ' A' ' 81' ' ' LEU . 59.2 t -117.99 114.93 46.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.528 173.971 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.735 ' HG3' ' H ' ' A' ' 33' ' ' SER . 28.2 tpt180 -123.63 147.0 47.77 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.756 -175.668 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -112.55 9.94 19.53 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.512 0.673 . . . . 0.0 109.777 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.735 ' H ' ' HG3' ' A' ' 31' ' ' ARG . 14.7 m -124.42 118.8 27.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.042 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 34' ' ' GLU . . . . . 0.411 ' O ' ' HD1' ' A' ' 37' ' ' PHE . 43.4 mt-10 -69.3 -22.06 63.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.882 0.373 . . . . 0.0 110.73 178.118 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -80.23 11.7 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.755 -175.872 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.6 m -99.45 -0.95 39.74 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -173.847 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.413 ' HD2' ' O ' ' A' ' 41' ' ' VAL . 4.4 p90 -95.61 132.74 40.45 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.917 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.49 -114.14 3.73 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.905 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.9 mmt -102.97 -10.27 19.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.018 0.437 . . . . 0.0 110.236 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.657 ' HB3' ' HG2' ' A' ' 23' ' ' ARG . 7.1 m-20 -83.27 -60.46 2.14 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.169 -178.778 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.413 ' O ' ' HD2' ' A' ' 37' ' ' PHE . 57.7 t -85.89 114.16 25.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.761 -177.244 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.41 154.37 29.02 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 172.206 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -66.86 -13.91 62.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.726 0.298 . . . . 0.0 110.986 -178.125 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.14 -27.61 66.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.026 0.441 . . . . 0.0 110.219 176.466 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.6 t -85.65 -14.01 46.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.471 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.3 mt -83.11 110.32 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.053 0.454 . . . . 0.0 110.093 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.1 m -136.95 124.59 14.38 Favored Pre-proline 0 C--N 1.318 -0.803 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.679 -179.344 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.578 ' HA ' ' O ' ' A' ' 17' ' ' GLY . 32.1 Cg_exo -57.64 143.15 95.57 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.627 2.218 . . . . 0.0 111.387 175.587 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.43 ' HA ' ' HB3' ' A' ' 52' ' ' PHE . 6.6 t -61.44 -21.51 64.21 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -175.154 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.2 t -62.68 -56.75 14.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.181 0.515 . . . . 0.0 110.08 174.737 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -75.64 -11.62 60.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.75 -178.878 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.43 ' HB3' ' HA ' ' A' ' 49' ' ' THR . 80.7 t80 -75.64 -40.04 56.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.103 -178.757 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.427 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 34.9 m -79.33 -13.32 13.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -175.339 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -96.71 133.29 41.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.979 0.418 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.8 m -118.3 113.49 21.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.311 177.179 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 62' ' ' MET . 17.1 m -76.88 115.02 16.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.353 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.0 m -95.55 -25.09 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.971 0.415 . . . . 0.0 111.05 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -113.38 -73.34 0.67 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.51 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -170.13 -64.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 175.599 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -84.55 -34.82 23.17 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 172.374 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 35.3 t -72.05 108.59 3.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.85 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.403 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 44.7 mtm -111.99 145.14 40.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.948 178.015 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.513 ' HG2' HG22 ' A' ' 100' ' ' THR . 43.1 mtp180 -109.89 148.19 32.01 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.99 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -78.02 113.46 15.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.48 107.56 3.53 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.137 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.535 ' HA ' HD13 ' A' ' 69' ' ' LEU . 2.2 ppt_? -69.91 -18.59 63.4 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.319 -0.518 . . . . 0.0 111.912 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 67' ' ' GLU . . . . . 0.446 ' N ' ' HD2' ' A' ' 66' ' ' ARG . 7.0 mm-40 -63.03 -24.9 68.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.319 0.581 . . . . 0.0 110.531 177.561 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.427 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 10.1 mm-40 -70.34 -41.99 72.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.039 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.535 HD13 ' HA ' ' A' ' 66' ' ' ARG . 7.6 mp -64.45 -28.77 69.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.438 -179.374 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 85.5 mm-40 -62.82 -34.43 77.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.798 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 54.2 mt -74.89 -33.14 29.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.185 0.517 . . . . 0.0 110.354 177.925 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.7 mt -74.48 -43.9 53.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.414 -176.486 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 pp -61.05 -24.23 66.05 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -175.572 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -58.6 -34.1 70.73 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.902 0.382 . . . . 0.0 110.439 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -98.21 96.0 7.79 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 175.8 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -79.47 82.62 5.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.243 0.544 . . . . 0.0 112.456 -167.042 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.486 ' HB ' ' HB3' ' A' ' 80' ' ' ARG . 1.0 OUTLIER -149.08 76.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.946 169.842 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -52.95 -44.38 67.05 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.093 -174.697 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -75.94 -36.97 59.16 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.066 -176.733 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.486 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 64.3 ttt180 -71.01 -51.03 27.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.378 . . . . 0.0 110.364 -176.74 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.79 ' HG ' HG11 ' A' ' 30' ' ' VAL . 2.0 tt -68.46 -25.13 64.84 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.203 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.538 ' O ' HD22 ' A' ' 15' ' ' LEU . 3.3 t-20 70.98 76.97 0.18 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.963 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.485 ' CD1' ' HB3' ' A' ' 81' ' ' LEU . 3.1 mp -104.01 125.75 58.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 171.598 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.609 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -59.87 146.62 44.71 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.373 -177.314 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.478 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 30.4 tt0 -62.98 -43.32 81.87 Favored Pre-proline 0 C--N 1.317 -0.822 0 O-C-N 122.913 -0.169 . . . . 0.0 111.366 -179.089 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.533 ' CB ' ' HA ' ' A' ' 8' ' ' ILE . 50.3 Cg_exo -57.58 -19.83 38.88 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 122.006 1.804 . . . . 0.0 112.465 171.386 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.609 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.3 mm? -78.58 -30.36 46.69 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 177.667 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 88' ' ' LEU . . . . . 0.566 ' O ' ' HG2' ' A' ' 92' ' ' ARG . 11.0 mp -64.8 -45.96 84.07 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.495 176.506 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 34.0 m -68.39 -33.21 59.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.263 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.622 ' HB2' HD11 ' A' ' 8' ' ' ILE . 70.3 t80 -62.77 -35.71 80.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.18 175.64 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 91' ' ' LEU . 0.6 OUTLIER -70.52 -35.68 73.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.654 178.034 . . . . . . . . 3 3 . 1 . 017 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 88' ' ' LEU . 10.8 mmp_? -61.42 -57.54 11.8 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.465 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -153.92 137.46 15.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.225 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -81.66 134.28 35.46 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.139 0.495 . . . . 0.0 110.351 -179.538 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.661 ' HB2' HG13 ' A' ' 3' ' ' ILE . 29.2 t70 -86.27 -48.11 8.81 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.786 178.552 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.55 ' O ' HG13 ' A' ' 99' ' ' ILE . 94.1 mt -123.67 106.48 32.15 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.613 176.718 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -63.63 -4.05 6.42 Favored 'Trans proline' 0 N--CA 1.474 0.332 0 C-N-CA 123.159 2.572 . . . . 0.0 112.619 176.094 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -129.12 46.72 2.58 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.522 -175.946 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 96' ' ' LEU . 64.5 mt -71.65 109.43 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.267 0.556 . . . . 0.0 109.528 175.396 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.513 HG22 ' HG2' ' A' ' 63' ' ' ARG . 2.7 p -125.72 152.54 45.17 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.224 -175.869 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -127.81 125.24 39.43 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 174.66 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -143.66 108.9 5.02 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.065 0.46 . . . . 0.0 110.993 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -77.07 104.51 7.61 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.214 0.531 . . . . 0.0 110.419 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -101.1 159.37 15.29 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.051 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.83 35.39 2.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.403 0.62 . . . . 0.0 111.317 -170.899 . . . . . . . . 2 2 . 1 . 017 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.483 ' HD2' ' O ' ' A' ' 106' ' ' ARG . 8.0 ppt_? . . . . . 0 C--N 1.312 -1.042 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.603 173.249 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.484 1.244 0 CA-C-O 120.744 0.307 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 018 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 p -103.6 159.62 15.45 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.167 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.573 HG13 ' H ' ' A' ' 95' ' ' ASP . 34.2 mm -69.12 141.1 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.722 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.4 p -91.73 -173.81 3.65 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.026 -173.509 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.438 ' O ' HG22 ' A' ' 8' ' ' ILE . 10.6 m -65.41 -172.11 0.1 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.434 -176.303 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 m -52.75 -22.63 5.48 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.421 0.688 . . . . 0.0 112.296 -176.221 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.67 -28.31 14.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.933 178.62 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.606 HD11 ' HB2' ' A' ' 90' ' ' TYR . 15.4 tt -61.0 -39.2 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 120.943 0.401 . . . . 0.0 110.796 177.794 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.7 t -75.17 -33.07 61.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.525 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -72.97 -38.82 66.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.229 -177.335 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.57 -27.9 67.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.763 0.316 . . . . 0.0 111.0 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.72 -17.88 64.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.121 0.486 . . . . 0.0 110.831 178.026 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -90.02 -24.06 21.32 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.124 177.134 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.05 0.93 52.18 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.526 -176.144 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.533 ' HB2' ' HB3' ' A' ' 50' ' ' SER . 50.7 mt -65.15 125.58 25.44 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.119 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -122.0 146.32 47.27 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.911 0.386 . . . . 0.0 110.372 -177.519 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 121.64 148.86 7.95 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -175.377 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -112.09 129.21 56.3 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.815 0.308 . . . . 0.0 110.315 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.36 137.68 32.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.053 0.454 . . . . 0.0 110.41 176.29 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -147.5 145.38 13.97 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.369 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -78.26 114.12 16.85 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -88.66 118.21 28.17 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HG2' ' HB3' ' A' ' 40' ' ' ASP . 3.1 ptm180 -64.76 -24.9 67.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.739 -177.459 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -76.41 -52.14 10.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 111.102 -176.617 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.6 p -80.65 -26.67 37.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.168 0.509 . . . . 0.0 110.878 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.73 25.98 57.27 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.102 178.147 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -133.89 169.23 17.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.043 0.449 . . . . 0.0 111.309 -178.207 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -96.08 107.38 19.68 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.309 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 pp -116.65 158.38 17.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.991 0.424 . . . . 0.0 111.777 -172.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.5 p -104.4 148.71 8.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.432 -178.239 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.51 147.22 23.13 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.57 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -93.82 -5.13 48.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.023 0.439 . . . . 0.0 110.876 -178.775 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 33' ' ' SER . . . . . 0.413 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 16.4 m -119.84 110.48 16.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.44 -174.951 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -62.74 -30.83 71.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.706 174.634 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -70.2 -6.7 36.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.321 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 36' ' ' SER . . . . . 0.413 ' HB2' ' HB2' ' A' ' 33' ' ' SER . 8.7 t -91.74 -1.71 57.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.184 0.516 . . . . 0.0 109.955 -176.953 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -106.66 121.14 43.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.412 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.72 -121.88 1.01 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.955 177.708 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -104.8 -7.22 19.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.901 0.381 . . . . 0.0 110.378 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.402 ' HB3' ' HG2' ' A' ' 23' ' ' ARG . 42.8 m-20 -65.67 -47.98 73.68 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.496 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.6 t -99.41 119.75 47.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.239 176.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.22 145.54 55.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.029 -177.296 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -63.41 -29.49 70.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.558 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -79.67 -18.62 50.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.622 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 98.5 p -89.64 -9.64 48.89 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.987 0.422 . . . . 0.0 110.152 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.2 mt -79.81 102.15 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 174.48 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.8 m -124.46 129.65 24.59 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.565 -177.367 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -55.69 139.69 83.49 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.354 2.036 . . . . 0.0 111.151 173.744 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.518 HG23 ' HB3' ' A' ' 15' ' ' LEU . 7.5 t -59.04 -26.7 64.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.655 0.264 . . . . 0.0 111.375 -177.343 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 50' ' ' SER . . . . . 0.533 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 1.2 p -71.22 -42.89 68.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.061 0.457 . . . . 0.0 110.634 175.611 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -73.27 -23.48 60.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.213 0.53 . . . . 0.0 110.037 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -68.44 -45.09 73.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.3 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.5 m -72.54 -21.83 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.501 -175.117 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.487 ' HD1' ' O ' ' A' ' 50' ' ' SER . 98.9 m95 -91.79 120.75 32.79 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.136 0.493 . . . . 0.0 110.518 178.157 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.8 m -119.65 113.56 20.86 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.692 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.588 ' HA ' ' HA ' ' A' ' 62' ' ' MET . 10.7 t -72.59 127.73 33.44 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.41 -177.852 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.2 m -104.34 0.42 10.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.596 0.713 . . . . 0.0 109.749 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.457 ' HA ' ' HD2' ' A' ' 58' ' ' ARG . 6.1 tpt180 -149.03 -154.14 0.54 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.432 -179.468 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 59' ' ' ASP . . . . . 0.427 ' H ' ' HG3' ' A' ' 58' ' ' ARG . 36.0 t70 -89.56 -36.85 15.1 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.75 178.088 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 60' ' ' ASP . . . . . 0.543 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 7.4 m-20 -126.9 11.7 7.18 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.612 177.414 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.458 HG22 ' HB3' ' A' ' 102' ' ' GLN . 19.5 t -112.01 111.57 36.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.702 0.287 . . . . 0.0 110.304 -177.623 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.588 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 58.5 mtm -115.19 139.2 50.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.833 -177.131 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.576 ' NH2' ' HA2' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -107.45 142.05 37.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.322 176.339 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 64' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 64' ' ' LEU . 1.5 tm? -76.44 117.85 18.52 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 173.996 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 65' ' ' GLY . . . . . 0.576 ' HA2' ' NH2' ' A' ' 63' ' ' ARG . . . -86.28 107.82 3.22 Favored Glycine 0 N--CA 1.443 -0.9 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.123 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.463 ' HB3' ' CE2' ' A' ' 90' ' ' TYR . 24.2 ptt180 -70.12 -27.18 64.36 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 122.496 -0.414 . . . . 0.0 111.241 176.912 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -63.89 -24.07 67.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.389 0.614 . . . . 0.0 109.965 177.966 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -70.45 -40.72 73.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.685 -178.698 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.4 mt -64.2 -29.05 70.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.528 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.416 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 75.9 mt-30 -73.66 -26.1 60.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.889 0.376 . . . . 0.0 110.951 178.679 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 66.6 mt -73.82 -36.55 46.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.534 0.683 . . . . 0.0 109.223 174.472 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 72' ' ' LEU . . . . . 0.788 ' HB3' HD21 ' A' ' 81' ' ' LEU . 79.6 mt -75.42 -25.75 57.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.686 177.662 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.674 HD13 HD21 ' A' ' 91' ' ' LEU . 42.7 tp -54.44 -26.03 28.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.187 -178.539 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -66.03 -18.95 65.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.856 0.36 . . . . 0.0 111.127 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -99.82 111.52 23.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.938 176.971 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 85.8 m-20 -84.46 2.06 42.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.306 -176.582 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.519 ' HB ' ' HB3' ' A' ' 80' ' ' ARG . 1.4 pp -90.27 74.54 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.569 0.699 . . . . 0.0 110.603 176.325 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 40.1 m-80 -63.72 -30.76 71.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.254 -172.334 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -80.71 -35.99 32.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.884 0.373 . . . . 0.0 110.131 -179.031 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.519 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 73.2 ttt180 -69.43 -41.76 75.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.662 0.744 . . . . 0.0 109.592 176.501 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.788 HD21 ' HB3' ' A' ' 72' ' ' LEU . 21.2 tp -72.53 -19.79 61.46 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.311 177.97 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 68.53 27.13 6.28 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.624 -0.717 . . . . 0.0 112.773 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.786 HD13 ' HG ' ' A' ' 81' ' ' LEU . 1.4 mp -77.47 125.46 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.979 0.418 . . . . 0.0 109.934 175.23 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -66.84 164.8 42.52 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.661 -0.7 . . . . 0.0 113.77 -174.171 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 15.1 tp10 -62.61 -51.84 69.46 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 115.586 -0.307 . . . . 0.0 111.549 -179.23 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.538 ' HB2' HG13 ' A' ' 8' ' ' ILE . 16.7 Cg_endo -58.98 -24.36 72.81 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 121.937 1.758 . . . . 0.0 112.052 176.85 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.8 mm? -69.79 -36.48 75.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.764 177.191 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.78 -38.42 83.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.95 176.196 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.72 -41.69 93.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.895 176.312 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.606 ' HB2' HD11 ' A' ' 8' ' ' ILE . 33.4 t80 -62.92 -35.24 79.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.225 178.097 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.674 HD21 HD13 ' A' ' 73' ' ' LEU . 52.3 tp -73.06 -37.21 66.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.782 178.513 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -62.84 -63.73 1.12 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.623 0.249 . . . . 0.0 111.384 176.741 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -148.01 96.88 2.71 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.845 0.355 . . . . 0.0 110.079 -177.88 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 94' ' ' GLN . . . . . 0.449 ' HA ' HD11 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -83.3 133.01 34.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.236 0.541 . . . . 0.0 110.738 -178.905 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 95' ' ' ASP . . . . . 0.573 ' H ' HG13 ' A' ' 3' ' ' ILE . 16.4 t70 -86.33 -42.01 14.05 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.518 178.09 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 96' ' ' LEU . . . . . 0.498 HD22 HG12 ' A' ' 99' ' ' ILE . 3.3 mp -92.07 123.0 64.06 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.498 177.636 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.64 -37.46 28.72 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.302 2.001 . . . . 0.0 111.188 175.204 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -138.17 102.03 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.653 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 99' ' ' ILE . . . . . 0.498 HG12 HD22 ' A' ' 96' ' ' LEU . 59.3 mt -74.68 105.26 3.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 171.656 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.61 120.34 41.23 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.081 0.467 . . . . 0.0 110.751 -173.624 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.71 139.44 53.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.039 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 102' ' ' GLN . . . . . 0.543 ' HA ' ' O ' ' A' ' 60' ' ' ASP . 9.4 pt20 -137.0 136.61 38.62 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.117 0.484 . . . . 0.0 111.06 -178.327 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -83.08 89.35 6.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.649 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.414 ' H ' ' HG3' ' A' ' 104' ' ' GLN . 0.0 OUTLIER -102.11 171.95 7.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.239 -175.224 . . . . . . . . 3 3 . 1 . 018 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.661 HD23 ' H ' ' A' ' 105' ' ' LEU . 2.4 pt? -122.39 18.9 10.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.004 0.431 . . . . 0.0 110.806 -176.894 . . . . . . . . 2 2 . 1 . 018 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.656 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 1.2 mmp_? . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.1 -177.712 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 1' ' ' MET . . . . . 0.47 ' HB3' HG12 ' A' ' 89' ' ' VAL . 65.7 mtt . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 120.912 0.387 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 m -73.72 140.22 45.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.837 177.553 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.7 mm -69.18 137.1 24.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.5 p -91.09 -178.12 5.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.413 0.625 . . . . 0.0 112.372 -167.639 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -79.47 -169.87 2.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.314 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.5 m -50.49 -22.75 2.07 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.798 0.839 . . . . 0.0 112.046 -178.44 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -52.1 -28.52 17.96 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 123.089 0.556 . . . . 0.0 111.653 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.646 HD11 ' HB2' ' A' ' 90' ' ' TYR . 14.9 tt -58.49 -37.07 62.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 120.844 0.354 . . . . 0.0 111.125 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.1 t -75.47 -34.73 60.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.04 0.448 . . . . 0.0 110.78 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -74.41 -40.01 62.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.99 -176.684 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.04 -15.78 63.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.791 -177.288 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.69 -23.98 65.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.214 0.531 . . . . 0.0 110.392 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -90.68 -1.43 57.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.612 0.72 . . . . 0.0 110.271 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.12 5.03 51.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.272 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.442 ' HB3' HG23 ' A' ' 49' ' ' THR . 10.5 mp -83.07 139.63 33.12 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.145 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.3 153.6 38.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.953 0.406 . . . . 0.0 111.148 -176.653 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 17' ' ' GLY . . . . . 0.58 ' HA2' ' HB3' ' A' ' 32' ' ' PHE . . . 107.42 164.71 21.86 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.389 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -112.99 146.41 39.11 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.529 HG22 HG12 ' A' ' 30' ' ' VAL . 12.9 t -105.39 128.82 59.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 175.554 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.64 150.52 22.74 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.414 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -93.06 114.91 27.57 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -87.29 137.85 31.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.119 0.485 . . . . 0.0 110.386 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 23' ' ' ARG . . . . . 0.428 ' HE ' ' CG ' ' A' ' 40' ' ' ASP . 36.8 ptt180 -95.09 3.39 54.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.273 0.559 . . . . 0.0 109.569 177.212 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -67.09 -44.11 80.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.064 176.085 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 25' ' ' THR . . . . . 0.534 HG23 ' HG2' ' A' ' 27' ' ' ARG . 9.5 t -131.41 -9.82 3.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.189 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.58 44.65 7.76 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.601 177.192 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 27' ' ' ARG . . . . . 0.534 ' HG2' HG23 ' A' ' 25' ' ' THR . 31.4 mmt180 -127.4 150.91 49.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.772 0.32 . . . . 0.0 110.429 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -89.88 105.24 17.67 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 29' ' ' ILE . . . . . 0.736 HD11 ' HZ ' ' A' ' 37' ' ' PHE . 2.7 pp -117.55 166.35 11.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.617 -169.788 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.529 HG12 HG22 ' A' ' 19' ' ' VAL . 33.7 m -116.29 141.31 34.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.156 176.71 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -168.0 132.88 1.79 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.58 ' HB3' ' HA2' ' A' ' 17' ' ' GLY . 22.2 p90 -94.52 39.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.308 0.575 . . . . 0.0 110.992 -177.238 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.7 t -143.05 109.15 5.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.61 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -67.75 -25.2 65.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.036 0.446 . . . . 0.0 110.964 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -70.89 -10.07 58.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.608 -177.115 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.7 p -62.59 -27.12 68.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.411 -178.131 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.736 ' HZ ' HD11 ' A' ' 29' ' ' ILE . 65.2 m-85 -108.58 -64.53 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 111.147 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.45 -110.81 3.33 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.645 -178.882 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.94 -4.23 56.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.316 0.579 . . . . 0.0 109.91 178.308 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 40' ' ' ASP . . . . . 0.428 ' CG ' ' HE ' ' A' ' 23' ' ' ARG . 24.6 t70 -72.12 -43.86 64.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.573 -177.908 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.6 t -135.27 128.05 48.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.952 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.45 146.1 54.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.861 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -74.68 -8.34 56.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.695 -173.484 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.95 -20.36 52.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.221 0.534 . . . . 0.0 109.756 175.225 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.3 t -83.27 -18.06 40.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.388 176.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.3 mt -91.13 116.77 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.803 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.0 m -122.73 124.8 26.57 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.049 -175.818 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.53 131.93 38.7 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.715 2.277 . . . . 0.0 111.193 175.673 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.442 HG23 ' HB3' ' A' ' 15' ' ' LEU . 13.5 t -63.3 -25.37 68.28 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -173.345 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.3 p -73.1 -24.26 60.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.956 0.408 . . . . 0.0 110.941 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -96.27 -25.64 15.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.277 0.56 . . . . 0.0 109.837 176.468 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -60.36 -36.7 78.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.395 -177.883 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.528 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 27.5 m -70.0 -19.02 22.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.497 -178.369 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -98.24 116.49 30.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.03 0.443 . . . . 0.0 110.135 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.8 t -103.27 112.63 25.6 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.203 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.9 t -69.82 116.67 10.48 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 16.4 m -119.51 9.61 6.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.059 -177.176 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.474 ' HB3' HG12 ' A' ' 61' ' ' VAL . 3.8 ttt180 -163.88 -162.34 0.7 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.941 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -59.46 -63.2 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.843 -175.376 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -127.78 14.96 6.97 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.474 HG12 ' HB3' ' A' ' 58' ' ' ARG . 14.5 p -114.47 130.39 68.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.46 0.648 . . . . 0.0 111.525 -178.389 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 67.8 mtm -116.48 134.9 54.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.673 177.65 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.487 HH21 ' HG2' ' A' ' 98' ' ' GLU . 7.4 ptm180 -95.98 134.8 38.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.224 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -73.01 111.86 8.51 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 175.193 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -96.91 115.15 5.16 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.54 -0.838 . . . . 0.0 111.65 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 66' ' ' ARG . . . . . 0.498 ' HA ' HD13 ' A' ' 69' ' ' LEU . 9.0 ptm180 -69.27 -19.38 63.92 Favored 'General case' 0 C--N 1.317 -0.804 0 O-C-N 122.324 -0.515 . . . . 0.0 111.409 177.842 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.0 pm0 -61.04 -24.82 66.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.125 0.488 . . . . 0.0 110.699 176.647 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.528 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 8.6 mm-40 -70.49 -38.93 74.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.732 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 66' ' ' ARG . 7.6 mp -67.82 -28.95 68.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.414 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.4 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 19.5 mm-40 -65.28 -33.16 75.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.207 177.179 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 66.6 mt -70.72 -43.23 77.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.07 0.462 . . . . 0.0 110.206 177.354 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.7 -33.41 75.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.375 0.607 . . . . 0.0 110.003 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 41.7 tp -66.58 -26.59 67.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.719 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 74' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 28.7 mm-40 -73.79 -34.56 64.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.369 175.961 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -65.93 -41.18 91.66 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 171.905 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 78.29 -12.67 1.05 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.901 168.857 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.462 HD11 HG21 ' A' ' 30' ' ' VAL . 1.7 pp -79.6 74.11 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.858 0.837 . . . . 0.0 111.496 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.504 ' HA ' HD13 ' A' ' 83' ' ' ILE . 4.9 t30 -63.08 -38.07 89.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.767 -174.512 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -80.48 -28.97 37.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.659 0.266 . . . . 0.0 111.398 -176.965 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.407 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 19.3 tpt180 -73.59 -51.34 17.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.992 0.425 . . . . 0.0 110.607 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 81' ' ' LEU . 1.7 tm? -73.1 -29.46 62.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.335 178.965 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.5 t30 66.95 80.13 0.22 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.663 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.504 HD13 ' HA ' ' A' ' 78' ' ' ASN . 3.9 mp -94.56 127.78 46.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.302 176.051 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.558 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -58.72 148.58 38.52 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.858 -178.484 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.758 ' HG3' ' HD3' ' A' ' 86' ' ' PRO . 4.4 pt-20 -65.72 -39.37 31.28 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.758 ' HD3' ' HG3' ' A' ' 85' ' ' GLU . 34.9 Cg_endo -66.34 -15.4 47.98 Favored 'Trans proline' 0 C--N 1.361 1.213 0 C-N-CA 121.352 1.368 . . . . 0.0 111.815 174.337 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.6 mm? -77.16 -34.59 56.4 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 176.457 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 99.7 mt -67.5 -38.57 84.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.773 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.47 HG12 ' HB3' ' A' ' 1' ' ' MET . 15.2 m -71.48 -33.35 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.109 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.646 ' HB2' HD11 ' A' ' 8' ' ' ILE . 49.6 t80 -65.76 -36.29 83.13 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 121.221 0.534 . . . . 0.0 110.404 177.942 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.401 HD12 ' HB3' ' A' ' 69' ' ' LEU . 10.0 tt -64.86 -23.25 67.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.166 177.998 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.587 ' HA ' ' NE ' ' A' ' 92' ' ' ARG . 3.0 mmp_? -88.54 -57.04 3.06 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.748 178.239 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -142.85 152.7 42.44 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -178.287 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -134.75 141.73 46.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.062 178.579 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -96.07 -21.3 18.05 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 175.758 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.9 mt -115.08 115.64 42.92 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.108 172.475 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.63 -44.22 41.53 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 123.009 2.472 . . . . 0.0 112.636 -177.907 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 98' ' ' GLU . . . . . 0.487 ' HG2' HH21 ' A' ' 63' ' ' ARG . 51.6 mt-10 -135.52 118.34 16.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.318 178.042 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 63.8 mt -88.91 104.88 15.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 174.24 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.5 p -101.77 133.64 46.18 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.539 -177.457 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.34 132.58 55.35 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.613 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -145.28 144.71 30.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.087 -175.515 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 103' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 103' ' ' ARG . 50.5 mtt180 -121.26 101.37 7.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.376 177.174 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 104' ' ' GLN . . . . . 0.47 ' OE1' ' HB2' ' A' ' 106' ' ' ARG . 11.8 pt20 -125.82 169.54 12.51 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.251 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear build full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 38.3 tp -100.89 1.37 39.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.219 0.533 . . . . 0.0 110.345 -177.671 . . . . . . . . 1 1 . 1 . 019 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.47 ' HB2' ' OE1' ' A' ' 104' ' ' GLN . 37.8 mtm180 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.277 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.805 0.336 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 020 nuclear build full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 p -81.69 155.55 25.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.112 175.288 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 3' ' ' ILE . . . . . 0.77 HG13 HH11 ' A' ' 93' ' ' ARG . 48.0 mm -77.75 142.51 14.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.116 0.484 . . . . 0.0 110.378 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 41.0 p -91.82 179.8 5.52 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.887 -177.512 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 5' ' ' SER . . . . . 0.429 ' O ' HG22 ' A' ' 8' ' ' ILE . 15.6 m -77.98 -170.45 1.92 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.429 176.552 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.0 m -50.63 -22.06 1.86 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.303 0.641 . . . . 0.0 112.593 -176.55 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.39 -21.84 4.04 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 122.863 0.465 . . . . 0.0 111.455 176.324 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 8' ' ' ILE . . . . . 0.547 HD11 ' HB2' ' A' ' 90' ' ' TYR . 14.1 tt -58.37 -38.21 68.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 111.089 177.166 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 9' ' ' CYS . . . . . 0.477 ' SG ' ' HH2' ' A' ' 54' ' ' TRP . 51.7 t -73.94 -30.49 62.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.296 0.57 . . . . 0.0 110.206 -178.989 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -74.16 -34.09 63.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.749 -177.569 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.45 -20.81 66.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.734 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 12' ' ' ALA . . . . . 0.541 ' HB1' HG21 ' A' ' 53' ' ' VAL . . . -64.99 -26.35 68.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.358 . . . . 0.0 111.352 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -87.21 -18.34 30.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.071 0.462 . . . . 0.0 110.553 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.72 -5.55 43.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.532 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 15' ' ' LEU . . . . . 0.552 HD22 ' HA ' ' A' ' 83' ' ' ILE . 54.0 mt -65.48 156.35 32.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.179 178.2 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 16' ' ' LYS . . . . . 0.525 ' HG2' ' HB2' ' A' ' 82' ' ' ASN . 17.5 ptpt -140.31 147.37 39.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.85 0.357 . . . . 0.0 110.768 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.39 162.82 13.67 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.867 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 18' ' ' PHE . . . . . 0.484 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 81.2 m-85 -114.61 159.55 20.32 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.795 0.331 . . . . 0.0 110.337 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 19' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 15.2 t -119.44 131.66 71.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 173.15 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 20' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -142.0 149.63 21.34 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.973 -176.91 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 21' ' ' PHE . . . . . 0.435 ' HA ' ' HA ' ' A' ' 28' ' ' TYR . 53.2 t80 -90.92 106.44 18.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.872 0.367 . . . . 0.0 110.677 -177.578 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -79.15 106.92 11.53 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 174.985 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -75.21 -16.05 60.51 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -174.972 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -64.84 -52.03 58.88 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -89.02 -18.26 27.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.034 175.776 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.39 44.6 16.55 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.535 177.883 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.8 mtp85 -136.9 149.78 47.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.001 0.429 . . . . 0.0 111.036 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 28' ' ' TYR . . . . . 0.435 ' HA ' ' HA ' ' A' ' 21' ' ' PHE . 7.2 t80 -94.24 101.68 13.67 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 178.233 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 pp -126.82 -180.0 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -168.325 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 30' ' ' VAL . . . . . 0.544 HG22 ' HG3' ' A' ' 75' ' ' GLN . 34.5 m -83.16 141.5 14.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.31 0.576 . . . . 0.0 111.72 -176.658 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 31' ' ' ARG . . . . . 0.481 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 2.5 mmp_? -136.53 132.73 35.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.89 179.182 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 32' ' ' PHE . . . . . 0.53 ' CZ ' ' HG3' ' A' ' 80' ' ' ARG . 93.7 m-85 -111.75 26.75 10.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.855 0.836 . . . . 0.0 109.236 177.63 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.3 t -152.34 114.44 4.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.489 -1.232 . . . . 0.0 109.523 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -70.04 -29.48 66.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.451 0.643 . . . . 0.0 109.505 174.432 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -69.71 -12.71 61.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.713 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.1 t -61.1 -32.41 72.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.809 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 37' ' ' PHE . . . . . 0.623 ' HB2' HD11 ' A' ' 46' ' ' ILE . 56.2 m-85 -117.72 97.65 5.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.133 0.492 . . . . 0.0 110.526 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.53 14.39 7.7 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.675 177.721 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.8 ptp -149.87 135.59 18.49 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 69.17 -56.55 0.54 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.727 0.811 . . . . 0.0 112.414 178.122 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 41' ' ' VAL . . . . . 0.415 ' HB ' ' HB3' ' A' ' 37' ' ' PHE . 30.4 t -76.15 125.52 35.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.516 -176.788 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.82 148.63 40.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.546 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -68.54 -14.12 62.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.167 0.508 . . . . 0.0 110.622 -179.254 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -68.73 -23.17 64.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.295 174.641 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 45' ' ' SER . . . . . 0.439 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 35.2 t -80.83 -0.98 41.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.233 178.834 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 46' ' ' ILE . . . . . 0.623 HD11 ' HB2' ' A' ' 37' ' ' PHE . 60.5 mt -111.89 103.28 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.719 178.104 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 56.2 m -119.53 127.41 26.45 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.687 -178.542 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 48' ' ' PRO . . . . . 0.484 ' HA ' ' HA ' ' A' ' 18' ' ' PHE . 22.1 Cg_endo -62.19 135.73 56.18 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.614 2.209 . . . . 0.0 111.405 175.966 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 49' ' ' THR . . . . . 0.547 ' HA ' ' HB3' ' A' ' 52' ' ' PHE . 9.9 t -63.8 -18.94 64.61 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -174.149 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 m -64.57 -35.51 81.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.021 0.439 . . . . 0.0 110.659 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -99.47 -22.25 15.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.361 0.6 . . . . 0.0 110.174 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 52' ' ' PHE . . . . . 0.547 ' HB3' ' HA ' ' A' ' 49' ' ' THR . 68.8 t80 -63.6 -24.0 67.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.983 -175.146 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 53' ' ' VAL . . . . . 0.541 HG21 ' HB1' ' A' ' 12' ' ' ALA . 10.9 m -85.15 -2.19 7.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.73 0.3 . . . . 0.0 111.379 -177.366 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 54' ' ' TRP . . . . . 0.477 ' HH2' ' SG ' ' A' ' 9' ' ' CYS . 88.7 m95 -108.48 120.89 43.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.006 0.432 . . . . 0.0 110.764 -178.582 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.5 m -112.05 128.67 56.26 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.419 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 56' ' ' SER . . . . . 0.525 ' HA ' ' HG2' ' A' ' 62' ' ' MET . 19.8 m -70.54 115.73 10.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.036 -178.069 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 57' ' ' VAL . . . . . 0.546 HG21 ' HG3' ' A' ' 63' ' ' ARG . 33.5 m -113.31 -1.04 9.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.371 0.605 . . . . 0.0 110.025 176.952 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 58' ' ' ARG . . . . . 0.465 ' HB3' ' HB ' ' A' ' 61' ' ' VAL . 9.8 tpt180 -148.62 -161.9 1.44 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -178.406 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -67.3 -62.85 1.22 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.772 0.32 . . . . 0.0 110.765 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -112.92 -22.6 10.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.337 0.589 . . . . 0.0 109.842 176.798 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 61' ' ' VAL . . . . . 0.465 ' HB ' ' HB3' ' A' ' 58' ' ' ARG . 31.9 t -70.88 115.33 10.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.119 -177.163 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 62' ' ' MET . . . . . 0.525 ' HG2' ' HA ' ' A' ' 56' ' ' SER . 68.4 mtm -114.06 142.3 46.36 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.073 177.949 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 63' ' ' ARG . . . . . 0.546 ' HG3' HG21 ' A' ' 57' ' ' VAL . 26.8 mtm180 -101.83 161.89 13.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.812 0.339 . . . . 0.0 110.562 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.42 112.28 4.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.265 176.413 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.83 95.66 1.39 Allowed Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -65.79 -15.75 63.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.002 0.43 . . . . 0.0 111.134 -175.567 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.0 -23.02 66.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.142 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 68' ' ' GLN . . . . . 0.573 ' HG3' HD12 ' A' ' 69' ' ' LEU . 4.0 pp0? -58.5 -31.82 68.23 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.876 -178.038 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 69' ' ' LEU . . . . . 0.573 HD12 ' HG3' ' A' ' 68' ' ' GLN . 6.3 mp -67.27 -33.57 75.58 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.937 0.398 . . . . 0.0 110.572 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 70' ' ' GLN . . . . . 0.581 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 89.0 mm-40 -67.55 -31.05 70.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.386 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 63.6 mt -76.74 -40.68 32.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 176.383 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 29.0 mt -63.48 -30.97 72.01 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -176.837 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 73' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.5 pp -58.64 -22.52 56.83 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 111.806 0.298 . . . . 0.0 111.806 -176.778 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -58.36 -39.13 78.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.766 0.317 . . . . 0.0 111.123 174.966 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 75' ' ' GLN . . . . . 0.544 ' HG3' HG22 ' A' ' 30' ' ' VAL . 14.8 mm100 -121.21 95.8 4.84 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 178.674 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -82.58 86.64 6.77 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -173.922 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 77' ' ' ILE . . . . . 0.484 ' HB ' ' CB ' ' A' ' 80' ' ' ARG . 1.1 pp -148.99 89.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.388 0.613 . . . . 0.0 111.181 177.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 78' ' ' ASN . . . . . 0.648 ' HA ' HD13 ' A' ' 83' ' ' ILE . 52.8 m-80 -72.6 -35.16 67.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.204 -175.85 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.69 -28.97 62.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.995 0.426 . . . . 0.0 110.215 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 80' ' ' ARG . . . . . 0.53 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 11.5 tpt180 -70.22 -52.91 19.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.779 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 81' ' ' LEU . . . . . 0.471 ' HB2' ' CD1' ' A' ' 83' ' ' ILE . 76.6 mt -83.74 -13.51 53.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.847 -178.397 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 82' ' ' ASN . . . . . 0.525 ' HB2' ' HG2' ' A' ' 16' ' ' LYS . 0.9 OUTLIER 65.45 48.02 2.15 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 -178.781 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 83' ' ' ILE . . . . . 0.648 HD13 ' HA ' ' A' ' 78' ' ' ASN . 4.0 mp -65.08 127.95 26.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.694 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 84' ' ' GLY . . . . . 0.567 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -62.88 145.91 50.12 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.871 -177.898 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 85' ' ' GLU . . . . . 0.53 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 44.0 mt-10 -62.13 -45.24 90.96 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 86' ' ' PRO . . . . . 0.557 ' HA ' HG22 ' A' ' 89' ' ' VAL . 52.6 Cg_exo -56.39 -20.9 34.62 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.207 1.938 . . . . 0.0 112.612 173.741 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 87' ' ' LEU . . . . . 0.567 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 2.7 mm? -76.04 -29.76 58.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.941 0.4 . . . . 0.0 110.079 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.7 mp -73.17 -43.23 61.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.686 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 89' ' ' VAL . . . . . 0.557 HG22 ' HA ' ' A' ' 86' ' ' PRO . 29.0 m -69.4 -31.98 51.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.734 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 90' ' ' TYR . . . . . 0.547 ' HB2' HD11 ' A' ' 8' ' ' ILE . 46.4 t80 -60.23 -28.06 67.71 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.003 0.43 . . . . 0.0 110.493 176.996 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 91' ' ' LEU . . . . . 0.449 HD13 HD22 ' A' ' 69' ' ' LEU . 62.9 tp -70.35 -30.73 67.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.682 178.423 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 92' ' ' ARG . . . . . 0.651 ' HE ' ' HA ' ' A' ' 92' ' ' ARG . 1.6 mmp_? -63.66 -55.49 23.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.144 0.497 . . . . 0.0 109.772 177.995 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 93' ' ' ARG . . . . . 0.77 HH11 HG13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -157.34 145.53 19.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.713 174.97 . . . . . . . . 3 3 . 1 . 020 nuclear build full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -92.48 157.32 16.62 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.844 0.354 . . . . 0.0 111.001 -178.396 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -96.76 -52.06 4.05 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.346 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.1 mp -134.45 146.54 59.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.153 175.969 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.68 -27.6 12.54 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.482 2.121 . . . . 0.0 111.213 173.106 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -91.95 47.79 1.38 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.023 -176.513 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.8 mm -71.6 104.06 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 170.807 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 100' ' ' THR . . . . . 0.42 ' CG2' ' HG2' ' A' ' 63' ' ' ARG . 3.0 p -126.04 138.27 53.71 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.387 -167.951 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -121.48 125.64 47.33 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.633 174.505 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 19.4 pt20 -146.09 150.05 35.21 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.706 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -106.49 112.78 25.93 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.198 0.523 . . . . 0.0 110.468 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -69.91 111.07 5.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.182 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear build full ' A' A ' 105' ' ' LEU . . . . . 0.879 HD23 ' H ' ' A' ' 105' ' ' LEU . 1.6 pt? -81.7 13.2 3.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.804 -174.752 . . . . . . . . 2 2 . 1 . 020 nuclear build full ' A' A ' 106' ' ' ARG . . . . . 0.656 ' HD3' ' HG ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.352 -0.832 . . . . 0.0 109.304 174.029 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 m . . . . . 0 C--O 1.234 0.244 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 . . . . . . . . . 0 0 . 1 . 001 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.54 HD13 ' HB ' ' A' ' 89' ' ' VAL . 39.4 mm -70.71 136.6 25.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.806 0.336 . . . . 0.0 110.242 -177.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.441 HG21 ' HG3' ' A' ' 86' ' ' PRO . 41.5 p -93.1 -179.99 5.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.729 -175.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -81.56 -170.6 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.863 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.9 m -51.52 -23.73 4.41 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.324 0.65 . . . . 0.0 112.307 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -52.39 -20.28 2.7 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 122.607 0.363 . . . . 0.0 111.732 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.552 HD11 ' HB2' ' A' ' 90' ' ' TYR . 17.0 tt -53.24 -33.89 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.1 175.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.2 t -65.78 -38.31 88.66 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.161 0.505 . . . . 0.0 110.744 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.45 ' HA ' ' OE1' ' A' ' 10' ' ' GLN . 11.9 mm-40 -74.08 -33.41 63.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.9 -177.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.69 -15.73 53.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.802 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.75 -15.77 61.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.996 0.427 . . . . 0.0 110.932 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -84.27 -19.8 33.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.477 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.87 -28.47 68.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.45 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 mp -62.04 128.73 37.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.166 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -132.41 147.96 52.4 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.882 0.372 . . . . 0.0 111.21 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.94 154.88 7.84 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.245 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -110.62 116.86 32.08 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.477 ' HB ' HG22 ' A' ' 30' ' ' VAL . 8.4 p -97.69 133.34 39.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-O 120.888 0.375 . . . . 0.0 110.474 -177.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.41 151.87 24.01 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.044 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -89.9 113.6 25.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.706 0.288 . . . . 0.0 110.322 -177.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -94.11 134.61 36.36 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.41 ' HD3' ' OD1' ' A' ' 40' ' ' ASP . 4.8 ptm180 -83.2 -4.98 58.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.341 -177.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -75.23 -46.64 32.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.926 0.393 . . . . 0.0 110.649 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.5 p -105.99 -12.47 15.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.63 47.54 48.63 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.584 178.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.543 ' HG3' HG23 ' A' ' 29' ' ' ILE . 5.7 ptp180 -149.65 161.92 41.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.128 0.489 . . . . 0.0 111.476 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -86.25 106.15 17.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.403 -178.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.543 HG23 ' HG3' ' A' ' 27' ' ' ARG . 2.7 pp -117.86 155.45 19.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.781 0.324 . . . . 0.0 111.617 -173.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.561 HG11 HD21 ' A' ' 81' ' ' LEU . 52.1 t -104.9 129.06 58.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.946 0.403 . . . . 0.0 111.479 -177.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 60.9 mmt-85 -126.85 169.5 13.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.687 175.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -114.18 0.52 14.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.175 0.512 . . . . 0.0 110.462 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.8 m -121.21 112.03 18.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.411 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.73 -23.08 63.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.289 0.566 . . . . 0.0 110.327 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -80.82 -0.43 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.861 -176.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 76.2 p -78.59 -23.22 46.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.797 0.332 . . . . 0.0 111.417 -174.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -107.05 130.48 54.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.22 -175.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.69 -109.68 2.93 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.03 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -95.43 -3.58 46.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.972 0.415 . . . . 0.0 110.774 -176.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.41 ' OD1' ' HD3' ' A' ' 23' ' ' ARG . 10.4 m-20 -80.07 -13.48 59.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.578 -178.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.1 t -134.59 131.63 54.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.231 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.55 126.74 30.46 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 175.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -66.0 -23.57 66.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.0 0.429 . . . . 0.0 111.084 -175.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -68.52 -22.6 64.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.896 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.7 m -89.83 -3.97 57.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.075 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.3 mt -94.44 116.47 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.403 ' O ' HG12 ' A' ' 19' ' ' VAL . 28.4 m -141.6 134.74 14.29 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.856 -176.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -59.09 123.85 14.38 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.432 2.088 . . . . 0.0 111.09 172.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.595 HG21 HD22 ' A' ' 81' ' ' LEU . 11.9 t -60.55 -18.15 50.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.504 -178.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.2 m -59.31 -40.35 85.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.99 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -107.11 -7.82 16.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.191 0.519 . . . . 0.0 110.448 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -65.83 -31.44 72.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.826 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.541 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 28.7 m -76.89 -11.37 13.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.746 -177.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -95.9 123.12 39.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.657 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.3 m -111.11 107.75 17.21 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.124 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' A' ' 62' ' ' MET . 0.6 OUTLIER -73.28 117.66 15.29 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.244 0.545 . . . . 0.0 110.932 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.566 HG11 ' HD3' ' A' ' 63' ' ' ARG . 29.3 m -99.84 -22.95 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.49 0.662 . . . . 0.0 110.178 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.589 ' HB2' ' HB ' ' A' ' 61' ' ' VAL . 3.9 mpt_? -122.63 -168.22 1.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 169.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -63.43 -62.84 1.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.745 0.307 . . . . 0.0 111.036 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.617 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 19.8 m-20 -106.5 7.53 30.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.521 -175.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.589 ' HB ' ' HB2' ' A' ' 58' ' ' ARG . 18.5 t -105.44 108.72 25.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.748 0.308 . . . . 0.0 110.526 -178.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.491 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 69.1 mtm -109.16 141.91 40.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.566 ' HD3' HG11 ' A' ' 57' ' ' VAL . 76.2 mtp180 -110.96 136.09 50.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.512 175.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.503 ' HB2' ' HB ' ' A' ' 99' ' ' ILE . 0.5 OUTLIER -76.76 113.99 15.02 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.785 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.76 99.5 2.49 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.508 ' HA ' HD13 ' A' ' 69' ' ' LEU . 26.4 ptt180 -68.78 -15.3 63.47 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.39 -0.476 . . . . 0.0 111.905 -175.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -63.42 -23.11 67.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.664 0.269 . . . . 0.0 110.885 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.763 HE21 ' HA ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -60.35 -31.11 70.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.074 0.464 . . . . 0.0 110.305 177.433 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 66' ' ' ARG . 9.9 mp -62.31 -27.64 69.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.057 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.46 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 23.1 mt-30 -66.38 -29.19 69.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.928 0.394 . . . . 0.0 110.641 178.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 63.8 mt -69.75 -32.89 53.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.415 0.626 . . . . 0.0 109.541 176.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 44.8 mt -75.22 -31.37 60.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.532 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.46 ' HB3' ' O ' ' A' ' 70' ' ' GLN . 56.9 tp -60.73 -32.38 71.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.395 175.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 31.4 mm-40 -60.66 -35.68 76.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.318 175.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -77.46 -34.28 54.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.486 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 68.33 15.97 9.27 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.32 0.581 . . . . 0.0 111.504 172.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.42 ' O ' HD12 ' A' ' 77' ' ' ILE . 1.3 pp -111.05 86.92 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.854 0.835 . . . . 0.0 111.423 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.589 ' HA ' HD13 ' A' ' 83' ' ' ILE . 18.8 m120 -71.76 -38.96 70.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.977 -173.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -79.72 -29.63 40.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.017 0.437 . . . . 0.0 110.636 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.408 ' HB3' HD13 ' A' ' 77' ' ' ILE . 65.5 ttt180 -66.82 -47.62 71.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.334 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.595 HD22 HG21 ' A' ' 49' ' ' THR . 51.4 mt -77.76 -20.16 53.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.102 177.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 62.5 t30 64.82 62.47 0.75 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.478 0.656 . . . . 0.0 110.491 -176.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.589 HD13 ' HA ' ' A' ' 78' ' ' ASN . 3.9 mp -80.13 118.49 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.644 175.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -62.33 155.82 39.31 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.724 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.426 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 45.0 mt-10 -63.52 -42.94 76.69 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 111.714 0.265 . . . . 0.0 111.714 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.441 ' HG3' HG21 ' A' ' 4' ' ' THR . 76.2 Cg_exo -52.74 -28.21 37.12 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 122.089 1.859 . . . . 0.0 112.255 170.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.526 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 0.9 OUTLIER -77.35 -37.9 51.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.118 179.149 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.56 -41.75 99.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.728 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.54 ' HB ' HD13 ' A' ' 3' ' ' ILE . 30.6 m -74.86 -32.61 28.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.784 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.552 ' HB2' HD11 ' A' ' 8' ' ' ILE . 9.3 t80 -62.99 -25.78 68.54 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.222 0.534 . . . . 0.0 111.056 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 91' ' ' LEU . 8.0 tt -64.55 -25.34 67.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.569 176.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -100.58 -70.38 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.278 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.521 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 46.1 mtp180 -125.42 -175.1 3.23 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.798 ' HG3' ' HA ' ' A' ' 97' ' ' PRO . 1.0 OUTLIER -153.21 158.37 41.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.4 0.619 . . . . 0.0 112.533 -174.431 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -89.94 -58.36 2.54 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 169.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -86.48 120.79 72.27 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 167.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.798 ' HA ' ' HG3' ' A' ' 94' ' ' GLN . 74.9 Cg_exo -48.21 -56.63 2.94 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.883 2.389 . . . . 0.0 111.563 -177.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -127.7 124.7 38.49 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.379 172.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.503 ' HB ' ' HB2' ' A' ' 64' ' ' LEU . 65.7 mt -71.93 110.46 5.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -111.12 129.84 55.81 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.012 -175.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -124.49 120.81 33.07 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.21 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.617 ' HA ' ' O ' ' A' ' 60' ' ' ASP . 12.1 pt20 . . . . . 0 C--N 1.322 -0.603 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.191 177.25 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m . . . . . 0 N--CA 1.455 -0.213 0 CA-C-O 120.698 0.285 . . . . 0.0 110.235 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.415 HG21 ' CB ' ' A' ' 95' ' ' ASP . 33.3 mm -88.05 146.75 5.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.3 p -91.46 -178.25 5.05 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.168 0.509 . . . . 0.0 111.772 -172.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.428 ' O ' HG22 ' A' ' 8' ' ' ILE . 31.7 t -80.62 -169.55 2.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.541 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.7 m -50.18 -21.19 1.23 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.538 0.735 . . . . 0.0 111.692 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -51.36 -24.18 4.48 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.174 175.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.619 HD11 ' HB2' ' A' ' 90' ' ' TYR . 16.3 tt -59.96 -39.45 80.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-O 120.878 0.371 . . . . 0.0 110.81 177.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.8 t -74.83 -28.63 60.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.275 0.559 . . . . 0.0 110.035 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -73.95 -36.25 64.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.177 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.75 -15.63 63.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.876 -177.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.6 -16.55 64.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.008 0.432 . . . . 0.0 110.822 177.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -79.39 -18.5 52.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.165 0.507 . . . . 0.0 110.563 177.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.46 -21.59 61.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.25 -178.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.556 ' HB3' HG23 ' A' ' 49' ' ' THR . 9.3 mp -64.15 116.87 6.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.31 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -124.7 145.1 49.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.861 -176.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 129.86 158.88 9.59 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.865 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -111.49 117.64 33.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.058 0.456 . . . . 0.0 110.152 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.54 HG12 ' CD1' ' A' ' 28' ' ' TYR . 8.7 t -95.53 135.62 29.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.961 -177.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.53 148.8 20.77 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.469 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -85.73 125.05 32.92 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.463 ' OD1' ' HG2' ' A' ' 24' ' ' LYS . 41.3 t30 -107.12 113.75 27.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.182 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -58.1 -35.84 72.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.714 -175.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.463 ' HG2' ' OD1' ' A' ' 22' ' ' ASN . 21.0 ptmt -77.38 -16.36 58.9 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.929 -173.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 p -103.24 -26.43 12.98 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.981 0.419 . . . . 0.0 110.689 175.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.46 21.31 72.93 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.789 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -140.67 167.72 21.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.02 0.438 . . . . 0.0 110.976 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.54 ' CD1' HG12 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -83.89 125.36 31.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.61 172.139 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 pp -117.84 153.66 19.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.604 HG11 HD11 ' A' ' 81' ' ' LEU . 10.5 t -118.74 132.33 68.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.762 0.315 . . . . 0.0 110.368 -178.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -124.21 156.65 36.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.992 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -82.07 -34.17 29.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.155 0.502 . . . . 0.0 109.955 -177.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.0 t -107.9 124.01 49.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.301 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.97 -16.57 63.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.325 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -77.21 -7.42 55.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.815 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.3 m -87.35 -8.56 56.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.814 -175.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -80.76 128.87 34.14 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.36 -175.25 41.95 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.645 -177.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.7 ttt -69.87 -13.23 62.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.327 0.584 . . . . 0.0 110.522 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -80.67 -7.98 59.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.108 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.0 t -112.55 139.14 38.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.415 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.65 137.19 45.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.695 0.283 . . . . 0.0 110.963 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -62.57 -44.68 95.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.341 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.37 -8.19 48.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.708 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.1 t -78.7 -30.58 46.1 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.3 mt -66.14 108.27 0.95 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.08 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.5 m -135.2 124.64 16.44 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.347 -177.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -53.39 132.46 48.59 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.429 2.086 . . . . 0.0 111.141 174.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.556 HG23 ' HB3' ' A' ' 15' ' ' LEU . 8.8 t -63.82 -17.34 63.02 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -174.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.437 ' O ' HG22 ' A' ' 53' ' ' VAL . 9.5 p -71.49 -50.86 27.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.992 0.425 . . . . 0.0 110.217 175.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -72.71 -23.02 60.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.64 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -56.49 -37.59 70.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.675 -177.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 50' ' ' SER . 22.6 m -80.89 -18.66 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.714 0.292 . . . . 0.0 111.622 -175.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -79.27 120.22 23.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.99 0.424 . . . . 0.0 110.33 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.51 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . 2.6 m -110.34 104.04 12.77 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.921 -178.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.0 m -76.04 115.14 15.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.735 -177.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.0 m -108.06 2.26 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.144 0.497 . . . . 0.0 110.446 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.485 ' HG3' ' H ' ' A' ' 59' ' ' ASP . 13.9 tpp180 -160.75 -174.5 4.46 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.485 ' H ' ' HG3' ' A' ' 58' ' ' ARG . 2.5 m-20 -49.45 -62.87 1.31 Allowed 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.082 0.553 . . . . 0.0 111.426 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -114.73 -17.0 11.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.982 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.479 ' HB ' ' HB3' ' A' ' 58' ' ' ARG . 48.4 t -71.97 108.5 3.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.137 0.494 . . . . 0.0 110.775 -178.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 67.8 mtm -116.98 145.06 43.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.967 177.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.51 ' HG3' ' HB2' ' A' ' 55' ' ' SER . 5.4 ptp180 -113.47 144.49 42.73 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 175.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.571 ' HB2' ' HB ' ' A' ' 99' ' ' ILE . 0.6 OUTLIER -73.84 110.59 8.25 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 174.622 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.89 105.68 2.78 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.107 -177.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.433 ' H ' ' CD ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -69.77 -25.49 63.84 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 122.594 -0.356 . . . . 0.0 111.115 177.029 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -66.41 -22.89 66.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.308 0.575 . . . . 0.0 110.37 177.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -71.09 -33.92 70.64 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.74 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.7 mt -64.57 -27.8 69.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.809 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.486 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 15.4 mm100 -56.91 -34.87 68.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.785 178.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 55.7 mt -75.07 -35.99 36.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.316 0.579 . . . . 0.0 110.594 178.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.2 mt -75.19 -30.1 60.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.86 -175.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.5 pp -66.79 -25.28 66.39 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.105 -177.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -71.76 -3.22 20.75 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.609 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.401 ' C ' ' H ' ' A' ' 77' ' ' ILE . 69.4 mm-40 -84.11 -26.89 28.58 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 172.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 71.96 -34.15 0.29 Allowed 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.181 0.992 . . . . 0.0 112.285 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.463 ' HB ' ' HB3' ' A' ' 80' ' ' ARG . 6.7 pt -80.5 46.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 122.881 0.472 . . . . 0.0 111.734 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -51.66 -39.72 58.69 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -178.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.63 -44.64 81.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.086 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.463 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 29.9 ttt180 -68.52 -40.66 80.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.458 0.646 . . . . 0.0 110.527 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.604 HD11 HG11 ' A' ' 30' ' ' VAL . 20.7 tp -72.03 -8.41 54.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.573 179.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.2 t30 69.68 39.45 1.51 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.419 172.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.42 129.53 37.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.621 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -58.83 143.24 45.42 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.876 -177.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.554 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 39.8 mt-10 -60.22 -46.07 97.76 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.554 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 50.5 Cg_exo -57.28 -17.64 27.09 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.181 1.921 . . . . 0.0 112.64 174.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.621 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.5 mm? -76.54 -30.5 57.13 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.476 ' O ' ' HG3' ' A' ' 92' ' ' ARG . 9.0 mp -70.69 -45.03 65.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.367 176.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.538 HG22 ' HA ' ' A' ' 86' ' ' PRO . 23.1 m -66.44 -32.98 60.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.558 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.619 ' HB2' HD11 ' A' ' 8' ' ' ILE . 59.4 t80 -57.66 -40.62 79.74 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.02 0.438 . . . . 0.0 110.553 175.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 tt -69.61 -41.33 75.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.727 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 88' ' ' LEU . 80.0 mtp180 -67.91 -44.34 77.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.906 -178.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.409 ' HB3' HD11 ' A' ' 3' ' ' ILE . 43.1 ttt180 -149.6 113.59 5.13 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.157 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -88.43 96.8 10.74 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.451 0.643 . . . . 0.0 110.682 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.415 ' CB ' HG21 ' A' ' 3' ' ' ILE . 24.3 t70 -54.51 -49.16 70.86 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.349 174.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 97.3 mt -102.1 122.16 47.95 Favored Pre-proline 0 C--N 1.318 -0.791 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 168.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.5 -38.69 54.57 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.602 2.201 . . . . 0.0 111.916 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -150.15 120.01 7.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.631 176.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.571 ' HB ' ' HB2' ' A' ' 64' ' ' LEU . 73.4 mt -73.28 106.74 3.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 176.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.9 p -101.61 133.6 46.04 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.241 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.91 130.98 40.35 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.731 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--N 1.324 -0.513 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.429 173.906 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 p . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 120.687 0.28 . . . . 0.0 110.715 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.404 HD13 ' HB ' ' A' ' 89' ' ' VAL . 39.2 mm -68.92 134.86 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.16 0.505 . . . . 0.0 110.932 -177.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 54.4 p -92.96 178.02 5.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.125 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 m -82.53 -169.64 2.55 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.488 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 m -50.68 -22.49 2.09 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.256 0.623 . . . . 0.0 112.22 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -52.39 -22.11 4.31 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 122.834 0.454 . . . . 0.0 111.514 177.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.6 tt -55.05 -41.06 57.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 122.514 0.326 . . . . 0.0 111.534 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.448 ' HB3' ' HH2' ' A' ' 54' ' ' TRP . 58.7 m -70.41 -35.01 73.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.247 0.546 . . . . 0.0 110.329 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -74.58 -32.99 62.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.765 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.81 -25.86 68.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.032 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.503 ' HB2' HD11 ' A' ' 87' ' ' LEU . . . -69.11 -18.75 64.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.179 0.514 . . . . 0.0 110.725 176.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -85.28 -5.11 59.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.467 0.651 . . . . 0.0 110.034 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.08 -2.86 56.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.61 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.461 ' HB3' HG23 ' A' ' 49' ' ' THR . 85.2 mt -68.39 141.04 55.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.674 177.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -125.75 145.13 50.33 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.56 -176.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.66 161.17 17.73 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.457 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 92.4 m-85 -111.66 157.2 20.73 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.6 t -120.67 134.39 64.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.13 152.6 24.66 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.957 -178.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -85.89 120.57 27.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.055 0.455 . . . . 0.0 110.509 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.564 HD22 ' HE1' ' A' ' 37' ' ' PHE . 28.1 t-20 -109.56 128.3 55.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.843 177.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.447 HH11 ' HD2' ' A' ' 23' ' ' ARG . 7.2 ptp180 -69.84 -24.24 63.42 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -174.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -78.27 -38.32 42.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.917 0.389 . . . . 0.0 110.281 -177.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.5 p -81.56 -26.37 35.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.13 0.491 . . . . 0.0 110.048 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . 0.441 ' O ' ' HD2' ' A' ' 27' ' ' ARG . . . 75.09 9.84 84.06 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.247 178.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.457 HH11 ' HD2' ' A' ' 27' ' ' ARG . 14.1 mmm180 -129.74 160.04 34.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.017 0.437 . . . . 0.0 110.768 -176.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -79.0 101.66 7.91 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 171.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.57 HG22 HE22 ' A' ' 75' ' ' GLN . 2.8 pp -116.66 159.14 16.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.099 0.476 . . . . 0.0 112.106 -167.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.486 HG13 ' HG3' ' A' ' 75' ' ' GLN . 34.3 m -83.27 148.55 5.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.947 -179.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -147.02 132.82 18.97 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -103.29 16.04 27.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.138 0.495 . . . . 0.0 110.337 -177.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.467 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 12.2 m -134.03 115.28 14.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.142 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.51 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 2.3 mp0 -66.33 -38.34 87.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.269 0.557 . . . . 0.0 110.06 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -71.62 -1.07 12.35 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.288 -177.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.467 ' HB2' ' HB2' ' A' ' 33' ' ' SER . 23.2 t -70.54 -23.86 62.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.308 179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.564 ' HE1' HD22 ' A' ' 22' ' ' ASN . 83.7 m-85 -134.3 100.43 4.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.641 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.32 -111.58 3.61 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.955 178.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.6 mtm -80.6 74.92 7.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.0 0.428 . . . . 0.0 110.284 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -172.3 -41.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.671 -176.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' A' ' 37' ' ' PHE . 58.5 t -128.63 136.65 59.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.573 177.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.33 132.65 46.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.073 0.463 . . . . 0.0 111.58 -177.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.69 -19.81 65.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.149 176.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -68.44 -25.92 65.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.632 175.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.4 t -80.06 -37.06 34.67 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.466 HD11 ' HB2' ' A' ' 37' ' ' PHE . 60.7 mt -66.0 115.72 4.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.82 177.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.0 m -123.18 127.89 25.48 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.97 -176.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 18' ' ' PHE . 19.2 Cg_endo -59.44 132.55 46.82 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.547 2.165 . . . . 0.0 111.381 175.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.461 HG23 ' HB3' ' A' ' 15' ' ' LEU . 8.8 t -65.11 -19.36 65.95 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -173.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.3 p -82.16 -11.62 58.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.765 0.317 . . . . 0.0 111.496 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -115.5 -24.37 8.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.186 0.517 . . . . 0.0 110.409 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -64.45 -18.52 64.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.388 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.6 m -83.7 -7.63 10.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.665 -175.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.448 ' HH2' ' HB3' ' A' ' 9' ' ' CYS . 97.8 m95 -105.61 122.88 46.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.965 0.412 . . . . 0.0 111.246 -178.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.5 m -109.77 125.28 52.53 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.981 174.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.6 m -76.96 115.57 16.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.964 0.411 . . . . 0.0 110.999 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.3 m -105.76 4.2 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.303 0.573 . . . . 0.0 110.352 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.598 ' HB3' ' HB ' ' A' ' 61' ' ' VAL . 9.2 tpt180 -169.28 174.61 6.01 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.446 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 4.7 m-20 -39.82 -63.8 0.55 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.2 0.6 . . . . 0.0 112.324 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.481 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 12.8 m-20 -123.33 23.42 9.05 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -178.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.598 ' HB ' ' HB3' ' A' ' 58' ' ' ARG . 21.4 t -106.47 109.53 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 177.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -109.37 135.93 49.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -104.55 145.2 30.64 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.65 119.18 20.83 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 173.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.693 ' O ' ' HG3' ' A' ' 68' ' ' GLN . . . -99.7 119.69 6.6 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.394 -0.907 . . . . 0.0 112.513 -177.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.41 ' HG3' ' H ' ' A' ' 66' ' ' ARG . 0.8 OUTLIER -66.19 -13.23 59.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.861 0.362 . . . . 0.0 111.428 177.81 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -58.61 -29.46 66.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.597 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.693 ' HG3' ' O ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -65.6 -31.25 72.18 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-O 120.746 0.308 . . . . 0.0 110.335 178.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.544 ' HG ' ' OE1' ' A' ' 68' ' ' GLN . 31.8 mt -65.57 -41.04 93.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.42 177.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.545 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 14.8 mm100 -63.94 -34.43 77.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.622 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.6 mt -75.5 -46.13 38.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.018 177.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 36.8 mt -66.63 -25.82 66.77 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -175.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.5 pp -66.24 -25.59 66.96 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.23 -39.1 93.67 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-O 121.041 0.448 . . . . 0.0 110.0 174.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.57 HE22 HG22 ' A' ' 29' ' ' ILE . 29.6 mm-40 -72.54 -49.66 31.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.578 176.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 74.39 -11.08 1.05 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.07 172.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.457 ' H ' HG13 ' A' ' 77' ' ' ILE . 1.8 pp -79.25 68.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.706 0.765 . . . . 0.0 112.169 -177.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.711 ' HA ' HD13 ' A' ' 83' ' ' ILE . 4.8 p-10 -63.83 -29.43 70.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.657 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -72.72 -34.33 67.02 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.698 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -84.16 -50.04 8.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.841 -174.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.505 ' HB3' HD12 ' A' ' 83' ' ' ILE . 14.9 tp -80.11 -11.29 59.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.679 -177.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.68 43.86 1.75 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.956 176.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.711 HD13 ' HA ' ' A' ' 78' ' ' ASN . 2.5 mp -58.88 122.23 8.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 175.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.513 ' HA3' HD23 ' A' ' 87' ' ' LEU . . . -65.82 157.37 48.44 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.536 -0.757 . . . . 0.0 113.268 -174.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.556 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 21.1 mt-10 -67.98 -45.26 41.84 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 115.366 -0.417 . . . . 0.0 111.438 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.556 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 50.4 Cg_exo -57.46 -26.2 70.21 Favored 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 121.859 1.706 . . . . 0.0 111.722 171.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.513 HD23 ' HA3' ' A' ' 84' ' ' GLY . 3.7 mm? -74.16 -31.91 62.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.172 0.51 . . . . 0.0 109.74 178.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.08 -39.88 75.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.522 177.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 86' ' ' PRO . 9.0 m -71.36 -31.31 43.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.716 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -54.37 -42.7 70.62 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.05 0.453 . . . . 0.0 110.012 175.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.52 HD12 ' HB3' ' A' ' 69' ' ' LEU . 9.0 tt -65.8 -33.15 75.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.585 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 67.2 mtp85 -64.47 -57.15 10.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.69 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -175.64 128.22 0.25 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.574 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -118.08 144.53 45.55 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.739 172.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -65.02 -43.13 93.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.104 0.478 . . . . 0.0 110.294 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.7 mt -104.03 128.8 26.43 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.831 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -64.04 -40.92 24.79 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.551 2.167 . . . . 0.0 111.551 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -114.1 101.32 9.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.517 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 49.2 mt -84.08 105.44 13.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 174.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.2 p -98.02 130.06 44.86 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.944 -174.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -122.98 120.87 34.64 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.483 -0.78 . . . . 0.0 108.972 175.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.481 ' HA ' ' O ' ' A' ' 60' ' ' ASP . 20.0 pt20 . . . . . 0 C--N 1.32 -0.679 0 CA-C-O 121.513 0.673 . . . . 0.0 111.944 -175.465 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m . . . . . 0 N--CA 1.453 -0.308 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.4 mm -68.7 134.75 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.289 0.566 . . . . 0.0 111.139 -174.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.6 p -93.11 -175.48 3.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.497 -176.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -85.77 -170.4 3.09 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.241 177.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.7 m -50.65 -21.83 1.76 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.454 0.701 . . . . 0.0 112.153 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -51.19 -22.38 2.58 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 176.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.593 ' HA ' ' HB2' ' A' ' 86' ' ' PRO . 18.6 tt -59.51 -37.37 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 120.926 0.393 . . . . 0.0 110.84 177.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.6 t -74.72 -33.85 62.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.335 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -72.92 -43.27 62.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.965 -176.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.82 -31.95 73.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.832 0.348 . . . . 0.0 111.265 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.51 -14.75 63.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.38 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -88.84 -23.0 22.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.097 0.475 . . . . 0.0 110.537 177.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.59 4.26 40.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.442 -176.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.495 ' O ' ' HB2' ' A' ' 50' ' ' SER . 55.2 mt -71.64 129.37 38.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.101 179.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -131.75 141.16 49.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.129 0.49 . . . . 0.0 111.07 -177.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 137.25 151.52 5.96 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 -175.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -116.27 117.49 30.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 117.635 0.718 . . . . 0.0 111.048 -175.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.607 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 10.7 p -108.76 127.31 65.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.878 -178.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -138.83 169.86 24.23 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.76 -173.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -92.65 113.72 26.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.954 0.407 . . . . 0.0 110.671 -177.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.485 ' HA ' HG22 ' A' ' 41' ' ' VAL . 2.8 t-20 -92.19 100.8 13.34 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 176.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -75.63 -14.98 60.39 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.785 -171.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -62.15 -37.57 85.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.472 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.423 HG23 ' H ' ' A' ' 27' ' ' ARG . 6.6 t -100.67 -26.32 13.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.982 0.42 . . . . 0.0 110.426 177.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.56 24.21 34.08 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.847 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.423 ' H ' HG23 ' A' ' 25' ' ' THR . 41.2 mtp180 -127.66 162.35 26.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.063 0.459 . . . . 0.0 111.018 -177.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.477 ' CE2' HG22 ' A' ' 19' ' ' VAL . 11.4 t80 -100.76 111.75 24.03 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 pp -127.19 158.91 38.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.861 0.362 . . . . 0.0 111.675 -170.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.607 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 11.2 p -105.28 143.47 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.379 0.609 . . . . 0.0 111.645 -174.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.541 ' HE ' ' HA ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -132.4 161.42 33.68 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 174.268 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -79.33 -40.44 30.29 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.223 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.8 p -109.22 138.77 45.07 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.539 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -70.45 -37.96 74.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.171 0.51 . . . . 0.0 111.349 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -85.48 17.7 3.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.153 -173.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.493 ' OG ' ' HG2' ' A' ' 31' ' ' ARG . 54.4 p -98.06 -11.25 23.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.151 0.501 . . . . 0.0 109.817 174.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.502 ' HB3' ' HB ' ' A' ' 41' ' ' VAL . 56.6 m-85 -71.68 145.13 49.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.818 175.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.0 -168.02 36.15 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.019 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -68.44 -3.79 12.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.642 0.258 . . . . 0.0 111.627 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -76.25 -45.76 31.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.058 0.456 . . . . 0.0 110.035 176.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.502 ' HB ' ' HB3' ' A' ' 37' ' ' PHE . 57.9 t -82.38 129.99 36.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.016 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.32 143.59 35.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.742 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -59.12 -37.41 77.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.389 0.614 . . . . 0.0 110.505 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -68.3 -21.55 64.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.813 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.456 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 14.9 m -92.26 1.97 56.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.24 -177.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.4 mt -96.35 123.76 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.753 0.311 . . . . 0.0 110.223 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 56.9 m -143.04 130.97 11.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.533 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -59.14 140.38 94.74 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.349 2.033 . . . . 0.0 111.171 174.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.0 t -61.25 -25.56 67.16 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -174.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.495 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 33.1 t -69.65 -44.73 69.97 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -79.0 -6.79 57.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.213 0.53 . . . . 0.0 110.174 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -81.19 -29.03 34.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.253 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 50' ' ' SER . 23.7 m -89.89 -25.35 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 110.554 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -92.2 114.57 27.15 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.1 0.476 . . . . 0.0 109.819 174.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 t -90.67 109.59 20.77 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.429 ' HA ' ' HG2' ' A' ' 62' ' ' MET . 7.2 m -76.69 113.68 14.6 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.7 m -101.31 -13.4 8.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.44 0.638 . . . . 0.0 109.668 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.552 ' HB3' ' HB ' ' A' ' 61' ' ' VAL . 8.0 tpt180 -153.3 167.44 29.35 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.4 -45.48 80.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.875 0.369 . . . . 0.0 111.367 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.654 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 15.2 p-10 -105.02 -7.36 19.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.791 -176.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' A' ' 58' ' ' ARG . 42.8 t -116.34 117.51 55.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.221 0.534 . . . . 0.0 111.487 -176.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.429 ' HG2' ' HA ' ' A' ' 56' ' ' SER . 52.5 mtt -126.17 162.74 24.69 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 175.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.481 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 8.8 ptm85 -137.51 152.88 49.97 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.856 177.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 64' ' ' LEU . 1.0 OUTLIER -87.61 128.02 35.27 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.462 ' O ' ' HG2' ' A' ' 68' ' ' GLN . . . -113.94 129.09 8.58 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.755 177.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.491 ' HB3' ' CE2' ' A' ' 90' ' ' TYR . 9.7 ptp180 -71.73 -31.15 66.39 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 122.148 -0.619 . . . . 0.0 111.801 179.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.494 ' HA ' ' CG ' ' A' ' 70' ' ' GLN . 43.1 mt-10 -63.31 -22.75 67.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.363 0.601 . . . . 0.0 110.84 -177.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 65' ' ' GLY . 5.8 mm100 -63.66 -42.39 98.08 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.135 177.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.662 HD23 HD12 ' A' ' 72' ' ' LEU . 93.3 mt -73.36 -28.58 62.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.661 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.563 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 12.9 mm100 -62.33 -28.23 69.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.076 0.465 . . . . 0.0 110.289 177.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 64.8 mt -75.46 -38.22 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.18 0.514 . . . . 0.0 110.553 175.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.662 HD12 HD23 ' A' ' 69' ' ' LEU . 93.5 mt -72.31 -25.44 61.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.044 -174.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.4 pp -64.8 -22.66 67.03 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.114 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -53.56 -37.57 63.03 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.897 0.38 . . . . 0.0 111.029 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.591 ' HB3' HG13 ' A' ' 77' ' ' ILE . 26.5 mp0 -83.05 -33.04 26.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 70.8 2.23 4.08 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.611 0.764 . . . . 0.0 112.494 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.591 HG13 ' HB3' ' A' ' 75' ' ' GLN . 1.8 pp -90.73 60.41 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.497 0.665 . . . . 0.0 111.615 -178.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -60.19 -27.83 67.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.759 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -67.46 -36.53 81.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.426 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -77.97 -43.0 31.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.01 -178.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.525 ' HB3' HD13 ' A' ' 83' ' ' ILE . 89.5 mt -68.51 -20.84 64.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.989 177.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.417 HD22 ' HA ' ' A' ' 82' ' ' ASN . 7.8 m120 69.58 23.82 5.78 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.387 -178.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.525 HD13 ' HB3' ' A' ' 81' ' ' LEU . 1.4 mp -59.22 126.12 16.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.705 175.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.557 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -83.03 177.19 53.24 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.724 -0.671 . . . . 0.0 113.885 -171.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.561 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 40.8 mt-10 -63.02 -48.07 85.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.502 -0.349 . . . . 0.0 111.635 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.598 ' HA ' HG22 ' A' ' 89' ' ' VAL . 11.8 Cg_endo -56.84 -22.16 44.06 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 122.119 1.879 . . . . 0.0 111.755 173.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.557 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.0 mm? -79.08 -34.67 43.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.067 179.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.6 mp -70.15 -43.3 71.17 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.556 175.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.598 HG22 ' HA ' ' A' ' 86' ' ' PRO . 10.5 m -67.95 -31.85 53.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.612 -177.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.538 ' HB2' HD11 ' A' ' 8' ' ' ILE . 75.8 t80 -59.41 -37.13 77.22 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.451 176.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.527 HD21 ' HB2' ' A' ' 69' ' ' LEU . 89.0 mt -67.31 -33.85 76.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.383 177.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 89' ' ' VAL . 19.4 mmm180 -63.94 -58.58 6.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.854 175.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -161.68 173.98 13.93 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -140.85 133.25 28.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.269 0.557 . . . . 0.0 110.901 175.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -82.05 -42.67 18.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.462 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -83.95 119.1 72.96 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.613 177.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.88 -53.12 1.38 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 111.616 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -106.6 100.89 10.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.811 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.427 HD12 ' CE1' ' A' ' 90' ' ' TYR . 51.3 mt -99.56 105.14 17.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 172.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 63' ' ' ARG . 20.6 p -125.1 161.3 27.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.733 -176.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -126.95 119.62 27.16 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.646 176.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.654 ' HA ' ' O ' ' A' ' 60' ' ' ASP . 13.5 pt20 . . . . . 0 C--N 1.319 -0.748 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.726 179.596 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m . . . . . 0 N--CA 1.451 -0.423 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.423 HD13 ' HB ' ' A' ' 89' ' ' VAL . 43.5 mm -68.65 134.85 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.5 p -91.2 173.21 8.05 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.735 -176.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 t -74.73 -171.89 1.41 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.119 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.4 m -54.36 -22.12 11.38 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.101 0.56 . . . . 0.0 111.926 -177.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -52.18 -19.82 2.21 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.96 0.504 . . . . 0.0 111.571 176.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.539 HD11 ' HB2' ' A' ' 90' ' ' TYR . 15.2 tt -52.71 -34.52 19.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.66 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.9 p -74.65 -29.24 61.19 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.841 0.353 . . . . 0.0 110.943 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -69.63 -34.67 74.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.162 0.506 . . . . 0.0 110.63 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.34 -15.7 62.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.435 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.556 ' HB1' HG21 ' A' ' 53' ' ' VAL . . . -71.34 -17.76 62.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.961 0.41 . . . . 0.0 111.274 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . 0.404 ' HA ' ' OG ' ' A' ' 50' ' ' SER . 86.2 m-20 -83.28 -5.44 59.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.91 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.1 -3.13 58.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.988 0.423 . . . . 0.0 111.052 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.548 ' O ' ' HB2' ' A' ' 50' ' ' SER . 9.7 mp -82.83 122.65 28.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.094 178.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -120.51 138.46 53.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.042 0.449 . . . . 0.0 110.663 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 141.98 166.03 10.72 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.384 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.492 ' HB3' ' CG2' ' A' ' 46' ' ' ILE . 85.4 m-85 -122.41 117.58 26.35 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.046 0.451 . . . . 0.0 110.279 -177.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.479 HG23 ' HB ' ' A' ' 49' ' ' THR . 43.5 t -95.81 130.92 43.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.755 -178.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.21 158.84 23.8 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.369 -0.92 . . . . 0.0 111.959 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -94.27 112.56 24.36 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.756 0.313 . . . . 0.0 110.206 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.552 ' HB2' HG12 ' A' ' 29' ' ' ILE . 26.8 t-20 -83.51 104.05 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 176.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -69.22 -29.29 67.21 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.827 -173.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.418 ' HE3' ' HB2' ' A' ' 24' ' ' LYS . 37.5 ttmt -62.52 -51.46 67.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.655 0.264 . . . . 0.0 110.856 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.0 p -79.29 -23.51 43.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.92 0.391 . . . . 0.0 110.776 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.36 29.78 35.69 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.597 176.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.37 166.29 33.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.008 0.432 . . . . 0.0 111.593 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -75.57 137.46 40.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.807 -178.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.552 HG12 ' HB2' ' A' ' 22' ' ' ASN . 2.5 pp -126.93 153.75 36.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.461 177.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.2 t -105.92 120.42 56.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.96 0.41 . . . . 0.0 110.578 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.516 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 3.8 mmp_? -109.99 132.08 54.48 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 175.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.517 ' CZ ' ' HG2' ' A' ' 80' ' ' ARG . 98.9 m-85 -87.19 -13.79 42.97 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.427 0.632 . . . . 0.0 109.938 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.419 ' HB2' ' OG ' ' A' ' 36' ' ' SER . 9.8 m -129.96 129.0 43.22 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.579 172.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.98 -12.9 61.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.979 0.419 . . . . 0.0 110.653 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -86.79 -4.23 59.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.736 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.419 ' OG ' ' HB2' ' A' ' 33' ' ' SER . 15.6 m -90.26 26.92 1.78 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.013 0.435 . . . . 0.0 111.023 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 11.3 p90 -91.49 -169.65 2.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.829 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.37 -161.31 9.99 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.185 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.9 ptp -76.51 -18.32 58.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.086 0.469 . . . . 0.0 110.094 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -84.32 -58.77 2.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.862 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.8 t -76.11 102.91 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.179 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.17 142.22 52.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.19 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -74.47 -6.83 50.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.091 0.472 . . . . 0.0 110.578 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -86.58 -12.52 48.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.505 0.669 . . . . 0.0 109.635 174.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.3 m -101.02 16.67 24.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.251 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.492 ' CG2' ' HB3' ' A' ' 18' ' ' PHE . 68.3 mt -112.25 135.43 51.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.422 -177.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . 0.417 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 90.6 m -140.71 130.06 13.07 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.615 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 8.8 Cg_endo -51.24 132.98 40.93 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.921 2.414 . . . . 0.0 111.73 176.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.479 ' HB ' HG23 ' A' ' 19' ' ' VAL . 11.7 t -64.25 -27.86 69.34 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -172.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.638 ' O ' HG22 ' A' ' 53' ' ' VAL . 23.0 t -67.92 -45.09 75.34 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -76.81 -14.93 59.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.358 0.599 . . . . 0.0 110.121 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -73.15 -30.19 63.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.465 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 50' ' ' SER . 4.2 m -81.96 -18.87 11.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.105 0.478 . . . . 0.0 110.252 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -87.86 127.37 35.34 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.218 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.3 m -107.73 102.21 11.45 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.886 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.523 ' HA ' ' HG2' ' A' ' 62' ' ' MET . 16.4 m -74.32 114.51 12.76 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 177.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.5 m -124.8 0.49 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.873 0.368 . . . . 0.0 111.458 -175.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.419 ' HB3' ' H ' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -157.41 162.85 39.01 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -178.467 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.83 -46.88 84.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.435 0.636 . . . . 0.0 110.73 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.407 ' OD2' ' HB2' ' A' ' 102' ' ' GLN . 24.0 t70 -104.72 -31.65 9.25 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.082 -175.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.419 ' H ' ' HB3' ' A' ' 58' ' ' ARG . 20.0 t -102.85 126.33 57.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.889 -171.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.523 ' HG2' ' HA ' ' A' ' 56' ' ' SER . 69.4 mtm -124.81 153.54 42.35 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 172.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.543 ' HB3' HG22 ' A' ' 100' ' ' THR . 51.2 ptt85 -127.7 166.94 17.18 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.04 -178.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.6 128.51 34.78 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 176.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.473 ' O ' ' HG3' ' A' ' 68' ' ' GLN . . . -93.45 132.56 11.28 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.603 -178.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.502 ' HD2' ' CE2' ' A' ' 90' ' ' TYR . 9.7 mmm180 -70.31 -20.22 63.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.798 0.332 . . . . 0.0 110.531 175.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -53.62 -45.91 70.27 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.375 -174.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.587 ' NE2' ' HG ' ' A' ' 69' ' ' LEU . 2.8 pp0? -51.93 -33.94 39.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.998 -0.547 . . . . 0.0 112.467 -179.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.587 ' HG ' ' NE2' ' A' ' 68' ' ' GLN . 82.9 mt -59.44 -36.37 75.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.789 0.328 . . . . 0.0 111.3 -177.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.844 HE21 ' HA ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -65.01 -42.46 94.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.686 -173.615 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.0 mt -76.27 -36.65 30.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.004 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 61.5 mt -72.31 -31.54 65.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.072 -176.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.5 pp -63.25 -24.35 67.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.608 0.242 . . . . 0.0 111.466 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.74 -22.6 64.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.938 0.399 . . . . 0.0 110.869 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -118.34 97.83 5.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.287 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -89.04 9.46 25.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.505 -175.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.477 ' H ' HG13 ' A' ' 77' ' ' ILE . 1.4 pp -75.55 68.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.774 0.797 . . . . 0.0 110.838 176.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -59.77 -39.4 84.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.653 -174.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -59.09 -29.03 67.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.054 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.517 ' HG2' ' CZ ' ' A' ' 32' ' ' PHE . 38.4 ttm180 -93.54 -47.81 6.66 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.207 0.527 . . . . 0.0 110.824 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.445 ' HB2' HD12 ' A' ' 77' ' ' ILE . 13.0 tp -70.51 -21.06 62.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.161 -172.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.8 m120 69.08 31.04 4.22 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 173.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 mp -72.91 130.3 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.491 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -68.73 158.32 52.85 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.922 -177.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.568 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 5.5 mp0 -61.21 -48.22 92.31 Favored Pre-proline 0 CA--C 1.538 0.507 0 N-CA-C 111.679 0.252 . . . . 0.0 111.679 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.568 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 32.2 Cg_exo -60.6 -19.63 61.0 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 122.001 1.801 . . . . 0.0 112.193 175.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.7 mm? -76.38 -23.51 54.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.125 0.488 . . . . 0.0 109.936 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.5 mt -73.68 -40.87 63.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.523 177.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.423 ' HB ' HD13 ' A' ' 3' ' ' ILE . 26.8 m -71.79 -29.7 34.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.707 178.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.539 ' HB2' HD11 ' A' ' 8' ' ' ILE . 44.4 t80 -51.58 -28.34 13.71 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.281 176.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.502 HD23 HD13 ' A' ' 69' ' ' LEU . 59.3 mt -63.34 -32.85 74.39 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.055 0.455 . . . . 0.0 111.109 175.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.0 mtp180 -88.18 -44.6 10.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.567 -177.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -167.1 160.88 14.32 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 176.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.501 ' HB2' HD11 ' A' ' 99' ' ' ILE . 14.9 pt20 -112.06 156.55 22.02 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.406 176.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.57 -71.9 0.14 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.182 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.2 mt -81.4 148.93 64.14 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.899 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.29 -39.31 91.67 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.382 2.055 . . . . 0.0 110.951 174.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -129.42 102.6 6.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.08 171.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.501 HD11 ' HB2' ' A' ' 94' ' ' GLN . 52.9 mt -81.66 110.58 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.991 0.424 . . . . 0.0 110.315 -178.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.543 HG22 ' HB3' ' A' ' 63' ' ' ARG . 24.2 p -122.58 153.2 39.59 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.878 -176.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.4 120.28 21.8 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.32 171.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.407 ' HB2' ' OD2' ' A' ' 60' ' ' ASP . 4.8 pt20 . . . . . 0 C--N 1.317 -0.81 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.236 -174.515 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.4 m . . . . . 0 N--CA 1.451 -0.391 0 CA-C-O 120.682 0.277 . . . . 0.0 110.441 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.486 HD11 ' O ' ' A' ' 93' ' ' ARG . 47.1 mm -87.21 156.11 3.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 177.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.2 p -90.9 -175.85 4.48 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.016 0.436 . . . . 0.0 111.757 -174.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.553 ' O ' HG22 ' A' ' 8' ' ' ILE . 12.1 t -80.24 -170.17 2.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.29 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.3 m -50.83 -22.56 2.23 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.623 0.769 . . . . 0.0 112.152 -176.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.1 -26.76 11.93 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.758 176.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.711 HD11 ' HB2' ' A' ' 90' ' ' TYR . 10.6 tt -63.79 -42.51 96.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 120.9 0.381 . . . . 0.0 110.364 177.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.8 m -74.33 -33.38 63.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.14 0.495 . . . . 0.0 109.989 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -66.75 -44.36 81.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.665 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.08 -34.29 77.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.166 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.429 ' HB2' HD11 ' A' ' 87' ' ' LEU . . . -65.58 -31.03 71.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.16 0.505 . . . . 0.0 110.859 178.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -87.61 -15.14 38.16 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.316 0.579 . . . . 0.0 110.498 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.55 7.31 46.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.144 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.491 HD22 ' HA ' ' A' ' 83' ' ' ILE . 84.6 mt -65.54 124.85 23.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.229 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 16' ' ' LYS . 16.5 ptpt -103.18 145.93 29.18 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.451 -177.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.64 168.55 15.43 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.14 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -118.27 165.17 14.15 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.885 0.374 . . . . 0.0 110.38 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 12.8 p -146.64 144.16 20.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 109.2 -0.666 . . . . 0.0 109.2 178.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.8 172.35 29.74 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.197 -177.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -104.84 118.56 36.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.7 0.286 . . . . 0.0 110.527 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -84.28 97.88 9.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 175.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.46 ' HD3' ' OD1' ' A' ' 40' ' ' ASP . 5.1 ptm180 -64.57 -17.62 64.12 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.997 -1.002 . . . . 0.0 112.495 -173.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -90.11 -28.77 18.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.614 0.245 . . . . 0.0 111.424 -175.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.3 p -96.26 -25.9 15.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.992 0.425 . . . . 0.0 110.677 176.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.2 24.48 40.36 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.526 176.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.1 ptm85 -131.64 155.45 47.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.071 0.462 . . . . 0.0 111.115 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -99.73 115.38 29.38 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.421 ' O ' HD12 ' A' ' 29' ' ' ILE . 2.7 pp -125.48 150.95 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.144 0.497 . . . . 0.0 112.331 -170.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 29.0 m -86.88 150.64 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.732 178.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.597 ' HE ' ' HA ' ' A' ' 31' ' ' ARG . 1.8 tpm_? -138.52 131.55 29.79 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.694 -178.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -87.29 -37.22 17.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.04 0.448 . . . . 0.0 110.157 -178.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.7 m -95.95 109.98 22.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.405 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -61.54 -23.51 66.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 -177.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -75.23 -9.83 58.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.036 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.492 ' HB2' ' HD3' ' A' ' 31' ' ' ARG . 20.6 m -78.49 58.49 2.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.189 0.519 . . . . 0.0 111.667 -176.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -143.54 168.85 18.89 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 176.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.95 -146.24 5.44 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.304 -0.951 . . . . 0.0 112.56 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.5 mtp -87.76 -21.48 25.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.217 0.532 . . . . 0.0 109.818 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.46 ' OD1' ' HD3' ' A' ' 23' ' ' ARG . 12.1 t70 -75.62 -41.56 54.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.134 178.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.6 t -84.75 128.25 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.352 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.57 145.68 38.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.022 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.9 -35.46 80.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.446 0.641 . . . . 0.0 109.705 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.8 -14.87 63.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.638 -176.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.7 t -76.26 -32.94 59.12 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.3 mt -73.47 107.8 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.259 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.0 m -122.38 131.15 24.43 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.348 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -55.33 133.4 57.86 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.117 1.878 . . . . 0.0 110.778 172.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.47 ' O ' HG13 ' A' ' 53' ' ' VAL . 7.1 t -58.72 -31.99 68.78 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -176.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 p -73.68 -25.0 60.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.966 0.412 . . . . 0.0 111.216 178.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -87.58 -21.15 25.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.214 0.53 . . . . 0.0 110.016 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -77.02 -29.28 55.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.214 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 49' ' ' THR . 13.0 m -79.39 -15.4 13.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.829 0.347 . . . . 0.0 111.285 -176.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -102.3 116.94 33.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.173 0.511 . . . . 0.0 110.391 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.4 t -88.11 129.14 35.39 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.7 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.406 ' HA ' ' SD ' ' A' ' 62' ' ' MET . 21.2 m -85.55 121.51 28.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.278 -178.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.424 HG11 ' HD2' ' A' ' 63' ' ' ARG . 16.9 m -129.87 13.33 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -173.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.436 ' HG2' ' CG ' ' A' ' 59' ' ' ASP . 38.3 ttt180 -168.62 -78.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.667 0.27 . . . . 0.0 111.344 177.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.436 ' CG ' ' HG2' ' A' ' 58' ' ' ARG . 2.9 p30 -161.03 -66.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.972 0.415 . . . . 0.0 110.795 -176.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -105.91 -23.72 12.61 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.429 ' HA ' ' HB3' ' A' ' 102' ' ' GLN . 47.3 t -71.75 111.52 5.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.875 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.406 ' SD ' ' HA ' ' A' ' 56' ' ' SER . 25.9 mmt -114.57 161.45 18.04 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.455 177.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.424 ' HD2' HG11 ' A' ' 57' ' ' VAL . 10.7 ptp180 -141.08 142.67 34.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.656 0.265 . . . . 0.0 110.54 175.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.93 115.86 7.14 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -178.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.82 ' O ' ' HG3' ' A' ' 68' ' ' GLN . . . -86.21 110.89 3.53 Favored Glycine 0 C--O 1.218 -0.873 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.673 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -61.77 -15.13 38.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.12 0.46 . . . . 0.0 111.896 -176.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.47 -24.56 65.62 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.82 ' HG3' ' O ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -64.14 -31.22 72.33 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.271 178.26 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.472 ' HG ' ' OE1' ' A' ' 68' ' ' GLN . 28.5 mt -61.97 -43.27 99.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.777 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.549 ' HA ' ' CD2' ' A' ' 73' ' ' LEU . 42.7 mt-30 -65.79 -33.18 75.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.343 -176.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 64.8 mt -75.39 -45.09 41.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.699 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 61.8 mt -68.64 -30.05 68.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.201 -176.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.549 ' CD2' ' HA ' ' A' ' 70' ' ' GLN . 4.5 pp -63.15 -24.54 67.94 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.741 0.305 . . . . 0.0 111.078 -178.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -64.06 -20.75 66.16 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -104.99 110.85 23.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.189 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -87.24 2.4 50.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -175.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.3 pp -99.39 74.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.588 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -56.14 -35.04 66.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.762 -174.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -65.11 -45.68 84.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.393 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -82.07 -23.08 36.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.437 0.636 . . . . 0.0 110.111 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 1.064 ' HG ' HD13 ' A' ' 83' ' ' ILE . 21.9 tp -74.72 -24.91 58.81 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.107 176.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 70.16 23.45 5.22 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.316 0.646 . . . . 0.0 111.55 177.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 1.064 HD13 ' HG ' ' A' ' 81' ' ' LEU . 1.4 mp -86.35 139.13 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 -178.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.578 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -71.94 157.55 53.07 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.648 -0.706 . . . . 0.0 113.087 -177.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.505 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 47.3 mt-10 -65.84 -47.04 65.86 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -178.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.505 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 44.9 Cg_exo -58.68 -21.32 55.21 Favored 'Trans proline' 0 C--N 1.359 1.115 0 C-N-CA 122.005 1.803 . . . . 0.0 112.103 176.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.2 mm? -68.07 -35.32 78.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.257 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.595 ' O ' ' HG3' ' A' ' 92' ' ' ARG . 8.7 mp -68.1 -33.7 75.02 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.906 175.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.76 -41.56 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.632 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.711 ' HB2' HD11 ' A' ' 8' ' ' ILE . 28.6 t80 -65.25 -32.43 74.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.27 0.557 . . . . 0.0 110.527 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.6 tt -69.93 -26.13 63.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.76 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.595 ' HG3' ' O ' ' A' ' 88' ' ' LEU . 48.9 mtt180 -69.02 -46.72 67.26 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.723 -178.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.486 ' O ' HD11 ' A' ' 3' ' ' ILE . 7.0 ptm180 -161.58 157.08 24.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.991 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -95.74 163.91 12.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.834 0.349 . . . . 0.0 110.428 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.4 ' HB2' HG13 ' A' ' 3' ' ' ILE . 9.9 t70 -144.71 -58.46 0.36 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 90.9 mt -80.52 120.93 80.71 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.31 174.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 96' ' ' LEU . 32.2 Cg_exo -58.44 -45.27 31.49 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.732 2.288 . . . . 0.0 112.326 -178.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -137.28 109.71 7.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.292 176.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 56.0 mt -83.23 106.28 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.93 0.395 . . . . 0.0 109.944 175.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.0 p -109.82 143.28 39.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.27 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -127.93 120.17 27.1 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.518 177.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.429 ' HB3' ' HA ' ' A' ' 61' ' ' VAL . 13.5 pt20 . . . . . 0 C--N 1.32 -0.683 0 CA-C-O 121.176 0.513 . . . . 0.0 110.766 -175.11 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 m . . . . . 0 N--CA 1.45 -0.461 0 CA-C-O 120.761 0.315 . . . . 0.0 110.841 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 mm -71.67 140.31 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 174.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.478 ' OG1' ' HB ' ' A' ' 8' ' ' ILE . 27.8 p -90.25 175.59 7.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.036 0.446 . . . . 0.0 111.858 -170.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.451 ' O ' HG22 ' A' ' 8' ' ' ILE . 9.6 t -75.44 -169.18 0.95 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.512 -178.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.2 m -49.86 -23.65 2.02 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.628 0.771 . . . . 0.0 112.244 -176.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.419 ' HA ' ' OE1' ' A' ' 10' ' ' GLN . 4.0 m-20 -52.44 -26.99 14.21 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 122.771 0.428 . . . . 0.0 111.652 176.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.688 HG13 ' HB2' ' A' ' 86' ' ' PRO . 20.0 tt -61.69 -47.45 93.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.451 -178.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.4 ' N ' HG23 ' A' ' 8' ' ' ILE . 24.2 p -75.73 -26.49 57.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.999 0.428 . . . . 0.0 110.645 178.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . 0.419 ' OE1' ' HA ' ' A' ' 7' ' ' ASP . 97.0 mt-30 -68.36 -35.0 77.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.466 178.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.6 -18.74 62.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.319 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.533 ' HA ' HD13 ' A' ' 15' ' ' LEU . . . -67.97 -17.82 64.55 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.31 0.576 . . . . 0.0 110.526 178.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -74.61 -17.17 60.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.806 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.57 6.91 38.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.714 -176.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.533 HD13 ' HA ' ' A' ' 12' ' ' ALA . 11.0 mp -80.85 143.9 32.41 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 176.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -122.12 138.08 54.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.787 0.327 . . . . 0.0 110.759 -176.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.27 -178.83 18.39 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.814 176.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -126.15 160.31 30.54 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -178.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.591 HG12 ' CE2' ' A' ' 28' ' ' TYR . 3.7 t -133.69 128.03 53.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.65 172.24 28.87 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.855 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -90.7 130.83 36.66 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.997 0.398 . . . . 0.0 110.886 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.516 ' HB2' HG12 ' A' ' 29' ' ' ILE . 44.8 t-20 -110.28 103.38 12.04 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -71.75 -21.62 61.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.006 -175.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.417 ' O ' ' HD2' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -67.82 -42.37 81.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -177.155 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.49 HG23 ' HG2' ' A' ' 27' ' ' ARG . 9.8 t -94.56 -14.55 24.92 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.655 177.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.71 40.16 22.99 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 121.223 -0.513 . . . . 0.0 113.35 174.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.49 ' HG2' HG23 ' A' ' 25' ' ' THR . 9.7 ptp180 -154.29 169.12 24.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.995 0.398 . . . . 0.0 111.015 178.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.591 ' CE2' HG12 ' A' ' 19' ' ' VAL . 3.3 t80 -88.67 127.28 35.57 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 175.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.516 HG12 ' HB2' ' A' ' 22' ' ' ASN . 3.7 pt -128.59 165.33 28.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.208 0.528 . . . . 0.0 111.565 -172.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.551 HG21 HD11 ' A' ' 77' ' ' ILE . 28.7 m -96.71 150.4 4.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.83 171.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.61 ' HE ' ' HA ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -144.92 132.46 20.89 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.735 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -69.37 -30.39 68.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.806 0.336 . . . . 0.0 111.301 -173.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.1 t -136.08 146.57 47.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.49 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -69.34 -27.69 65.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.995 0.426 . . . . 0.0 110.313 177.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -72.24 -15.45 61.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.188 -178.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.1 m -77.16 6.16 7.05 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -174.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -176.38 5.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.567 0.222 . . . . 0.0 111.114 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.72 -122.47 2.41 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 175.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -104.4 12.58 33.26 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 173.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.36 -68.84 0.68 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.817 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.4 p -102.84 139.64 23.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.819 0.342 . . . . 0.0 110.568 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.91 158.76 16.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.277 176.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.91 -31.63 68.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.301 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.98 -20.08 63.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.293 0.568 . . . . 0.0 110.914 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.8 t -95.0 12.75 27.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.275 0.559 . . . . 0.0 109.764 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 62.4 mt -119.32 138.26 50.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.017 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.2 m -135.83 129.35 18.21 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.608 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.99 132.64 48.54 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.519 2.146 . . . . 0.0 111.294 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.427 HG23 ' HB3' ' A' ' 15' ' ' LEU . 11.7 t -62.21 -25.51 67.84 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -171.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 m -65.66 -35.67 81.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.057 0.456 . . . . 0.0 110.81 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -103.13 -12.34 17.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.316 0.579 . . . . 0.0 110.275 -176.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -66.79 -27.58 67.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.319 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.534 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 33.6 m -76.81 -5.56 7.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.808 -176.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -101.45 116.68 33.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.445 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.2 t -111.5 140.5 46.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.188 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.3 m -75.03 115.56 14.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.056 -176.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.414 HG11 ' HD3' ' A' ' 63' ' ' ARG . 28.2 m -122.6 -3.48 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.899 0.38 . . . . 0.0 111.517 -178.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.571 HH21 HG21 ' A' ' 100' ' ' THR . 3.7 tpp180 -137.29 -163.19 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -56.51 -70.77 0.11 Allowed 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.264 0.352 . . . . 0.0 110.964 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -126.05 19.83 7.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.547 0.689 . . . . 0.0 109.831 172.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.654 ' HA ' ' HA ' ' A' ' 102' ' ' GLN . 14.7 t -100.38 127.82 53.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.928 178.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 65.8 mtt -109.46 160.41 16.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.692 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.45 ' HA ' ' O ' ' A' ' 99' ' ' ILE . 15.5 ptt180 -119.95 150.8 39.92 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.373 177.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.27 109.88 6.31 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 172.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -107.79 113.06 3.81 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.912 -177.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.614 ' HB3' ' CD2' ' A' ' 90' ' ' TYR . 10.4 ptm180 -68.2 -15.47 63.59 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.596 -0.356 . . . . 0.0 111.524 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -56.54 -28.9 61.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.329 0.585 . . . . 0.0 110.327 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.534 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 9.1 mm-40 -72.51 -42.51 64.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.365 178.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.67 ' HB3' HD21 ' A' ' 91' ' ' LEU . 92.6 mt -67.5 -28.67 68.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.963 -178.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.578 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 14.3 mm100 -60.31 -36.8 78.76 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.083 0.468 . . . . 0.0 109.759 178.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 56.1 mt -69.18 -35.08 66.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.054 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.635 HD12 HD23 ' A' ' 69' ' ' LEU . 64.2 mt -72.07 -38.88 69.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.957 -177.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.604 HD23 HD22 ' A' ' 91' ' ' LEU . 4.5 pp -70.47 -26.45 63.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.795 0.331 . . . . 0.0 110.168 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -66.79 -27.52 67.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.447 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.522 ' HG3' HG13 ' A' ' 30' ' ' VAL . 31.5 mm-40 -69.67 -32.07 70.49 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 176.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 69.85 13.14 8.02 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.701 174.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.551 HD11 HG21 ' A' ' 30' ' ' VAL . 2.0 pp -112.99 54.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.27 0.557 . . . . 0.0 111.53 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.553 ' HA ' HD13 ' A' ' 83' ' ' ILE . 59.5 m-80 -60.77 -27.44 67.98 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.649 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -73.01 -28.1 62.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.872 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -79.23 -54.83 5.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.257 0.551 . . . . 0.0 110.814 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.427 HD23 HD11 ' A' ' 83' ' ' ILE . 12.0 tp -79.84 -19.7 47.75 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.158 -173.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 67.12 63.81 0.45 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.755 178.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.553 HD13 ' HA ' ' A' ' 78' ' ' ASN . 3.0 mp -77.35 129.86 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 174.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.589 ' HA3' HD23 ' A' ' 87' ' ' LEU . . . -62.87 160.67 33.77 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.818 -0.628 . . . . 0.0 113.642 -174.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.464 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 37.8 mt-10 -64.23 -53.15 49.4 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 115.506 -0.347 . . . . 0.0 111.663 -177.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.688 ' HB2' HG13 ' A' ' 8' ' ' ILE . 25.8 Cg_endo -62.75 -18.53 64.77 Favored 'Trans proline' 0 C--N 1.357 1.013 0 C-N-CA 121.964 1.776 . . . . 0.0 112.104 177.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.589 HD23 ' HA3' ' A' ' 84' ' ' GLY . 3.9 mm? -69.9 -36.12 75.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.404 . . . . 0.0 109.973 178.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.475 ' HA ' HD12 ' A' ' 91' ' ' LEU . 9.3 mp -67.64 -31.32 71.24 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.033 0.444 . . . . 0.0 110.199 174.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 48.8 t -67.65 -38.37 80.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.743 175.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.614 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 6.1 t80 -68.68 -23.61 64.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.382 176.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.67 HD21 ' HB3' ' A' ' 69' ' ' LEU . 86.7 mt -71.22 -22.36 62.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.65 175.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.604 ' HE ' ' HA ' ' A' ' 92' ' ' ARG . 2.4 mmp_? -78.12 -62.39 1.69 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -146.54 174.84 11.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.773 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -128.06 139.46 52.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.189 172.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.8 -33.7 14.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.288 0.566 . . . . 0.0 110.185 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.52 HD12 HG12 ' A' ' 99' ' ' ILE . 95.5 mt -101.97 139.51 20.38 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.653 177.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.82 -20.93 71.04 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.681 2.254 . . . . 0.0 111.673 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -173.91 125.31 0.36 Allowed 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.908 177.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.52 HG12 HD12 ' A' ' 96' ' ' LEU . 56.3 mt -91.17 104.61 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.571 HG21 HH21 ' A' ' 58' ' ' ARG . 3.4 p -100.45 137.75 38.44 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -171.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -143.05 127.42 17.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.696 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.654 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 27.3 pt20 . . . . . 0 C--N 1.321 -0.633 0 CA-C-O 120.843 0.354 . . . . 0.0 110.56 -179.315 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p . . . . . 0 N--CA 1.451 -0.42 0 CA-C-O 121.043 0.449 . . . . 0.0 111.066 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.839 HG13 ' HB2' ' A' ' 95' ' ' ASP . 38.8 mm -97.72 152.16 4.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.2 p -92.12 -176.39 4.37 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.98 0.419 . . . . 0.0 111.322 -176.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 m -85.55 -169.58 2.71 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.872 -178.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m -50.51 -23.86 2.78 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -173.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -54.61 -19.99 7.14 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.461 0.304 . . . . 0.0 111.696 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.663 HD11 ' HB2' ' A' ' 90' ' ' TYR . 13.5 tt -52.87 -43.42 46.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.988 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.454 ' HB3' HG21 ' A' ' 99' ' ' ILE . 28.2 p -75.45 -29.27 59.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.025 0.441 . . . . 0.0 110.697 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -68.36 -34.71 76.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.514 -178.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.84 -28.66 68.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.984 178.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.728 ' HB2' HD11 ' A' ' 87' ' ' LEU . . . -70.71 -29.71 66.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.108 0.48 . . . . 0.0 110.626 179.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -76.66 -18.92 58.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.496 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.69 9.21 35.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.759 -176.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.1 mt -70.55 153.08 43.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.369 . . . . 0.0 110.62 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -113.24 158.41 20.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.131 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.47 153.65 29.29 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.628 -0.796 . . . . 0.0 113.152 175.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.625 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 77.0 m-85 -111.38 155.72 22.68 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.442 HG22 HG12 ' A' ' 30' ' ' VAL . 2.8 t -120.66 131.89 71.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 175.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -129.99 139.65 11.12 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.7 -175.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.538 ' HB3' ' HB3' ' A' ' 45' ' ' SER . 78.6 t80 -80.83 103.21 10.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.098 0.475 . . . . 0.0 110.137 178.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.574 ' HA ' HG22 ' A' ' 41' ' ' VAL . 26.0 t-20 -93.9 128.9 40.45 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.234 -178.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 -86.89 -7.73 57.92 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -174.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -80.19 -28.33 38.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.087 0.47 . . . . 0.0 109.783 176.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.6 p -105.22 -16.88 14.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.555 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.81 35.07 84.44 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.416 178.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.481 ' HG3' HG23 ' A' ' 29' ' ' ILE . 11.0 ptp180 -154.19 170.03 22.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.2 0.524 . . . . 0.0 111.862 -175.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -92.0 105.74 17.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.556 -178.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.481 HG23 ' HG3' ' A' ' 27' ' ' ARG . 2.6 pp -117.43 156.76 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 0.0 111.745 -174.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.442 HG12 HG22 ' A' ' 19' ' ' VAL . 23.3 m -91.41 138.99 18.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.271 0.558 . . . . 0.0 112.197 -174.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 12.0 mmt85 -149.24 131.94 15.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.197 176.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -79.64 -40.47 29.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.338 0.59 . . . . 0.0 109.555 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.2 p -93.77 102.92 15.08 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.4 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.495 ' HB3' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.38 -15.54 62.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 177.846 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -80.25 3.73 19.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.226 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 62.4 p -84.1 -5.89 59.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.99 0.424 . . . . 0.0 110.83 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.572 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 65.9 m-85 -107.62 173.22 6.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.968 177.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.92 -93.71 0.4 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.175 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 66.3 mtt -110.64 7.05 22.18 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.296 0.569 . . . . 0.0 109.851 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -91.15 -12.56 35.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.695 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.574 HG22 ' HA ' ' A' ' 22' ' ' ASN . 92.8 t -140.09 122.59 16.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.256 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.22 149.97 46.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.318 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -65.5 -39.11 91.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.884 0.373 . . . . 0.0 111.167 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -71.15 -10.7 60.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.838 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.538 ' HB3' ' HB3' ' A' ' 21' ' ' PHE . 19.8 m -92.57 3.84 54.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.438 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.495 HG21 ' HB3' ' A' ' 34' ' ' GLU . 67.1 mt -113.77 118.48 58.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 94.3 m -141.07 132.91 13.86 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.822 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.625 ' HA ' ' HA ' ' A' ' 18' ' ' PHE . 12.8 Cg_endo -56.04 136.34 74.45 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.001 2.467 . . . . 0.0 111.682 177.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.537 ' O ' HG13 ' A' ' 53' ' ' VAL . 14.5 t -64.46 -28.2 69.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.863 0.364 . . . . 0.0 110.686 -176.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 p -71.45 -13.38 61.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.468 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -103.64 -30.66 10.32 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -63.85 -27.63 69.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.695 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.537 HG13 ' O ' ' A' ' 49' ' ' THR . 31.3 m -73.81 -9.7 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.971 178.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -105.58 140.8 38.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.059 0.457 . . . . 0.0 110.076 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.653 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . 17.1 m -103.81 96.97 7.05 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 172.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.7 t -65.01 115.71 5.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.878 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.5 m -114.67 -24.24 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.274 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -153.14 176.79 11.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.75 -36.79 83.27 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -173.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.449 ' OD2' ' HB2' ' A' ' 102' ' ' GLN . 33.1 t70 -116.18 -15.69 11.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.386 0.613 . . . . 0.0 110.531 -179.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.5 t -97.14 108.83 22.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.014 -175.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -118.66 133.61 55.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.891 174.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.653 ' HG3' ' HB2' ' A' ' 55' ' ' SER . 13.2 ptm180 -107.86 142.91 37.2 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 178.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 64' ' ' LEU . 1.0 OUTLIER -71.48 116.96 12.44 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.489 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.33 92.38 1.58 Allowed Glycine 0 N--CA 1.442 -0.953 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.915 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -60.48 -15.07 23.28 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -66.83 -23.67 66.07 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 176.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.404 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 1.4 pp0? -57.18 -32.75 66.77 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.888 0.375 . . . . 0.0 110.994 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 91' ' ' LEU . 37.3 mt -58.29 -42.64 87.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.007 -175.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -64.46 -38.75 92.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.436 -177.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 60.0 mt -74.25 -34.45 37.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.831 -177.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 26.9 mt -75.08 -39.27 60.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.337 -179.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.68 -25.44 65.69 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -176.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -80.9 -9.45 59.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.82 0.343 . . . . 0.0 111.429 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -80.82 -30.56 35.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.673 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.1 m120 75.95 -30.19 0.19 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.753 0.821 . . . . 0.0 112.156 175.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.689 ' HB ' ' HB2' ' A' ' 80' ' ' ARG . 2.2 pp -86.34 63.42 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-O 121.752 0.787 . . . . 0.0 112.836 -170.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -59.42 -35.23 73.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.594 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -62.3 -28.22 69.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.305 0.574 . . . . 0.0 110.746 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.689 ' HB2' ' HB ' ' A' ' 77' ' ' ILE . 80.3 mtt180 -87.14 -42.14 13.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.431 -174.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 41.3 tp -95.05 -28.78 14.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.691 0.281 . . . . 0.0 111.346 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 17.0 m120 64.73 86.57 0.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.619 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.4 mp -84.38 133.3 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.285 176.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -56.55 150.11 27.03 Favored Glycine 0 C--N 1.331 0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 113.4 -176.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.562 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 38.3 tt0 -63.89 -48.4 78.81 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 111.519 0.192 . . . . 0.0 111.519 -178.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' A' ' 85' ' ' GLU . 31.4 Cg_exo -63.49 -17.6 60.73 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 121.728 1.619 . . . . 0.0 111.757 175.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.728 HD11 ' HB2' ' A' ' 12' ' ' ALA . 3.8 mm? -80.09 -33.94 38.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.623 178.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.421 ' O ' ' HG2' ' A' ' 92' ' ' ARG . 96.6 mt -63.91 -39.43 94.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.618 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 22.8 m -76.01 -33.75 25.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.663 ' HB2' HD11 ' A' ' 8' ' ' ILE . 15.8 t80 -63.89 -36.95 85.6 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.178 0.513 . . . . 0.0 110.146 177.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.491 ' HA ' HD13 ' A' ' 69' ' ' LEU . 9.9 tt -64.65 -32.86 74.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.161 178.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 88' ' ' LEU . 18.4 mmm180 -74.5 -50.02 19.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 -178.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -152.56 132.43 13.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.154 0.502 . . . . 0.0 110.309 176.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -86.11 101.72 13.22 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.131 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.839 ' HB2' HG13 ' A' ' 3' ' ' ILE . 33.8 t70 -74.54 -32.22 62.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.084 178.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.6 mp -115.16 114.21 43.44 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 174.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.49 -57.84 1.74 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 123.053 2.502 . . . . 0.0 112.88 -176.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -133.35 100.97 4.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.884 0.373 . . . . 0.0 110.183 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.454 HG21 ' HB3' ' A' ' 9' ' ' CYS . 54.4 mt -80.43 115.6 23.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.631 -178.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.7 p -109.96 133.19 53.44 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.092 0.472 . . . . 0.0 111.118 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -121.95 139.22 53.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.499 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.449 ' HB2' ' OD2' ' A' ' 60' ' ' ASP . 7.9 pt20 . . . . . 0 C--N 1.323 -0.582 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.966 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 m . . . . . 0 C--O 1.233 0.222 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.7 mm -68.73 147.93 11.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.552 ' OG1' ' HB3' ' A' ' 86' ' ' PRO . 40.7 p -91.45 -175.08 4.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.951 0.405 . . . . 0.0 111.524 -174.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 m -77.17 -169.73 1.46 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.7 m -50.93 -21.77 1.91 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.843 0.857 . . . . 0.0 112.546 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -51.84 -21.78 3.18 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 122.61 0.364 . . . . 0.0 111.807 176.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.73 HG13 ' HB2' ' A' ' 86' ' ' PRO . 18.9 tt -57.57 -38.56 64.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.92 0.391 . . . . 0.0 110.871 178.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 50.5 m -75.87 -30.72 58.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.084 0.469 . . . . 0.0 110.579 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -73.22 -42.51 62.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.087 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.98 -27.56 69.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.069 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.538 ' HB1' HG21 ' A' ' 53' ' ' VAL . . . -65.87 -20.96 66.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.163 178.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -80.44 -22.19 41.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.462 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.73 -10.0 59.62 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.682 -175.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.615 ' O ' ' HB2' ' A' ' 50' ' ' SER . 10.4 mp -67.85 120.22 13.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.29 177.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -116.65 151.38 36.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.901 0.381 . . . . 0.0 110.497 177.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 128.68 147.62 6.48 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -174.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.545 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 56.2 m-85 -111.3 126.0 54.44 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -176.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.0 t -94.63 124.8 47.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -177.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.32 148.39 20.09 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.82 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -85.23 118.34 24.72 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.541 ' OD1' ' HG2' ' A' ' 24' ' ' LYS . 46.3 t-20 -93.62 122.88 36.52 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.074 0.464 . . . . 0.0 110.166 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -64.38 -32.0 73.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.937 -175.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.541 ' HG2' ' OD1' ' A' ' 22' ' ' ASN . 18.3 ptpt -87.37 -16.63 34.42 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.458 -0.497 . . . . 0.0 112.037 -173.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.486 ' OG1' ' HB3' ' A' ' 22' ' ' ASN . 25.4 p -105.66 -26.13 11.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.045 0.45 . . . . 0.0 110.675 176.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.09 20.95 71.84 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.112 177.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -122.82 149.93 43.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.934 0.397 . . . . 0.0 110.953 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -88.48 96.59 10.67 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 171.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.4 pp -117.39 179.17 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -167.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.8 p -100.7 131.4 48.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.61 0.719 . . . . 0.0 111.221 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -125.71 136.5 53.26 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.362 175.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -90.73 4.17 52.29 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.274 0.559 . . . . 0.0 110.136 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -132.32 122.12 24.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.475 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -69.44 -41.2 76.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.394 0.616 . . . . 0.0 110.455 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -85.56 21.91 1.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.107 -173.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.5 p -77.85 -11.58 59.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.31 0.576 . . . . 0.0 110.062 176.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -126.35 140.92 52.12 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.439 -0.801 . . . . 0.0 108.963 174.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.3 -93.22 1.81 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.404 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 26.6 ptm -102.36 11.77 37.57 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.28 -60.53 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.629 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.7 t -114.37 135.26 54.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.529 -174.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.12 136.03 56.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.234 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -68.16 -14.95 63.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.209 -175.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -68.8 -29.28 67.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.0 0.428 . . . . 0.0 110.509 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.6 t -84.62 -24.71 29.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.501 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.4 mt -85.87 99.89 8.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.018 0.437 . . . . 0.0 110.123 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.5 m -121.55 129.19 25.31 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.018 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.545 ' HA ' ' HA ' ' A' ' 18' ' ' PHE . 16.4 Cg_endo -58.72 135.53 67.77 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.586 2.191 . . . . 0.0 110.858 173.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.45 HG23 ' HB3' ' A' ' 15' ' ' LEU . 7.1 t -60.1 -30.76 69.46 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -173.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.615 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 31.4 t -62.65 -36.53 83.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.156 0.503 . . . . 0.0 110.427 177.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -95.42 -1.04 51.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.394 0.616 . . . . 0.0 110.091 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -90.66 -31.68 16.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.658 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.538 HG21 ' HB1' ' A' ' 12' ' ' ALA . 9.0 m -84.37 -7.94 11.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.017 -177.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -107.13 125.01 50.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.561 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.8 m -125.21 108.84 12.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.701 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.516 ' HA ' ' HA ' ' A' ' 62' ' ' MET . 35.3 m -64.86 115.89 5.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.984 0.421 . . . . 0.0 110.704 178.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.2 m -107.46 2.63 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.417 ' HB3' ' HB ' ' A' ' 61' ' ' VAL . 9.2 ttp180 -152.08 -172.15 4.14 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -53.42 -55.31 26.13 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 111.553 -177.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -122.22 -22.34 5.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.047 0.451 . . . . 0.0 110.928 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.541 HG22 ' HB3' ' A' ' 102' ' ' GLN . 32.6 t -71.83 126.17 31.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.211 -177.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.516 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 68.9 mtm -111.83 146.81 37.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.745 -177.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.594 ' HD2' ' OE1' ' A' ' 98' ' ' GLU . 13.5 tpp180 -101.98 139.6 37.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.63 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -80.19 115.27 19.66 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 174.258 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.642 ' O ' ' HG3' ' A' ' 68' ' ' GLN . . . -68.43 111.19 3.82 Favored Glycine 0 C--O 1.22 -0.759 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.551 -177.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -22.68 60.71 Favored 'General case' 0 C--N 1.315 -0.919 0 O-C-N 122.297 -0.531 . . . . 0.0 110.626 171.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.37 -24.85 63.03 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.741 -174.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.642 ' HG3' ' O ' ' A' ' 65' ' ' GLY . 2.8 pp0? -58.59 -30.42 67.18 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -177.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.47 HD13 ' HA ' ' A' ' 91' ' ' LEU . 57.8 mt -55.98 -42.05 75.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.314 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.457 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 11.2 mm100 -66.93 -34.36 77.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.596 -177.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 61.1 mt -77.18 -39.1 28.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.359 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 57.7 mt -70.18 -31.86 69.53 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -175.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.1 pp -60.12 -22.97 63.47 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -176.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.454 ' N ' HD12 ' A' ' 73' ' ' LEU . 43.4 mm-40 -50.88 -34.31 27.67 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.969 0.414 . . . . 0.0 110.813 176.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.923 ' HB2' HD11 ' A' ' 81' ' ' LEU . 67.0 mm-40 -110.62 131.56 54.95 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -98.83 -0.36 42.65 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.916 -172.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.593 HD13 ' HB3' ' A' ' 80' ' ' ARG . 1.0 OUTLIER -85.57 85.89 2.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.449 0.642 . . . . 0.0 111.57 177.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -63.17 -37.14 86.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.371 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -63.97 -39.2 93.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.284 0.564 . . . . 0.0 110.654 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.593 ' HB3' HD13 ' A' ' 77' ' ' ILE . 56.3 ttt180 -75.95 -40.96 52.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.408 -177.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.923 HD11 ' HB2' ' A' ' 75' ' ' GLN . 90.3 mt -75.59 -12.13 60.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.253 177.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 71.63 25.26 3.34 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.981 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.463 HD11 HD13 ' A' ' 72' ' ' LEU . 1.6 mp -61.33 120.12 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.053 0.454 . . . . 0.0 110.034 176.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.513 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -75.58 170.53 54.53 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.663 -0.699 . . . . 0.0 113.019 -176.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.44 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 5.4 mm-40 -55.13 -53.87 56.75 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -177.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.73 ' HB2' HG13 ' A' ' 8' ' ' ILE . 42.9 Cg_endo -67.95 -10.94 30.46 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.104 1.87 . . . . 0.0 112.494 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.513 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.3 mm? -77.63 -28.94 51.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.096 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 mp -68.45 -43.76 76.33 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.801 0.334 . . . . 0.0 110.525 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.474 HG22 ' HA ' ' A' ' 86' ' ' PRO . 35.5 m -73.73 -34.8 41.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.281 -177.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.599 ' HB2' HD11 ' A' ' 8' ' ' ILE . 50.3 t80 -60.97 -35.64 77.31 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.114 0.483 . . . . 0.0 110.355 177.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.47 ' HA ' HD13 ' A' ' 69' ' ' LEU . 10.5 tt -62.3 -37.17 84.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -74.46 -51.66 14.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.308 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -160.52 164.19 32.26 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -117.96 129.42 55.59 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.143 0.497 . . . . 0.0 111.073 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.25 -46.34 87.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.171 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 50.2 tp -107.65 108.16 61.22 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.147 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -63.91 -13.57 38.07 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 123.221 2.614 . . . . 0.0 112.889 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.594 ' OE1' ' HD2' ' A' ' 63' ' ' ARG . 8.0 tp10 -139.12 88.97 2.31 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.275 -178.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 60.0 mt -92.29 107.57 19.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.466 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.442 HG22 HG12 ' A' ' 61' ' ' VAL . 2.7 m -133.6 120.57 20.89 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.295 176.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.06 156.85 43.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.84 0.353 . . . . 0.0 111.448 -173.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.541 ' HB3' HG22 ' A' ' 61' ' ' VAL . 30.2 pt20 . . . . . 0 C--N 1.323 -0.549 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.884 179.753 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 m . . . . . 0 N--CA 1.453 -0.286 0 CA-C-O 120.735 0.302 . . . . 0.0 110.741 . . . . . . . . . 0 0 . 1 . 010 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.771 HG13 ' HB2' ' A' ' 95' ' ' ASP . 48.6 mm -75.51 144.14 12.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 173.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.0 p -91.11 172.62 8.43 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.994 0.426 . . . . 0.0 112.039 -171.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.425 ' HB2' ' OD1' ' A' ' 7' ' ' ASP . 16.5 m -75.59 -169.9 1.14 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.208 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.56 -22.95 2.21 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.584 0.754 . . . . 0.0 112.243 -178.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . 0.425 ' OD1' ' HB2' ' A' ' 5' ' ' SER . 3.2 m-20 -55.2 -21.58 14.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.274 179.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.636 HD11 ' HB2' ' A' ' 90' ' ' TYR . 15.7 tt -57.07 -38.62 61.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-O 120.977 0.418 . . . . 0.0 110.536 177.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.447 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 58.1 m -75.54 -30.61 59.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.026 0.441 . . . . 0.0 110.808 178.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -68.85 -37.65 79.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.217 -178.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.97 -22.0 63.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.874 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.48 ' HB1' HG21 ' A' ' 53' ' ' VAL . . . -74.43 -24.49 59.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.209 0.528 . . . . 0.0 110.289 177.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -77.45 -21.3 53.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.958 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.54 -5.0 59.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.587 -177.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 83' ' ' ILE . 60.9 mt -65.39 129.84 41.18 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -114.83 140.36 49.0 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.985 0.421 . . . . 0.0 110.827 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 135.22 147.13 5.45 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 -177.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -111.07 124.51 52.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.935 0.398 . . . . 0.0 110.152 -177.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.436 HG22 HG12 ' A' ' 30' ' ' VAL . 18.8 t -95.62 131.76 41.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.266 -176.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.35 163.95 29.28 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.26 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -97.13 109.54 22.27 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.445 ' HB2' HG12 ' A' ' 29' ' ' ILE . 52.2 t30 -90.28 122.66 33.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.085 0.469 . . . . 0.0 110.917 -176.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -62.42 -20.99 65.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.352 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -66.12 -53.7 34.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.53 0.205 . . . . 0.0 111.047 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.1 t -93.24 -19.64 21.22 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.399 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.65 33.74 63.39 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.627 -177.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -139.96 176.6 8.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.735 0.303 . . . . 0.0 110.294 -177.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -82.16 129.3 34.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.187 175.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.445 HG12 ' HB2' ' A' ' 22' ' ' ASN . 2.7 pp -133.72 171.4 18.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.147 176.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.472 HG21 HD11 ' A' ' 77' ' ' ILE . 27.3 m -123.35 140.51 46.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.211 0.529 . . . . 0.0 110.857 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.419 ' HG3' ' H ' ' A' ' 33' ' ' SER . 15.5 tpp180 -132.05 154.43 49.42 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 176.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -102.99 4.42 37.37 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.369 0.604 . . . . 0.0 109.741 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.51 ' HB2' ' OG ' ' A' ' 36' ' ' SER . 4.4 m -125.87 116.57 21.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.109 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -69.25 -32.11 71.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.689 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -72.71 -10.44 59.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.323 -174.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.51 ' OG ' ' HB2' ' A' ' 33' ' ' SER . 16.6 m -74.73 -7.02 52.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.056 0.455 . . . . 0.0 111.025 -178.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.436 ' HB2' HD11 ' A' ' 46' ' ' ILE . 70.9 m-85 -123.01 106.28 10.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.814 176.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.5 -76.12 1.2 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.168 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -104.75 2.64 30.47 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 172.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.47 -52.06 50.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.829 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.5 t -133.12 145.56 33.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 114.745 -1.116 . . . . 0.0 108.716 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . 0.401 ' O ' HG13 ' A' ' 46' ' ' ILE . . . -66.6 137.17 56.55 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -63.15 -26.13 68.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.983 0.42 . . . . 0.0 110.673 -177.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -70.88 -29.73 65.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.314 175.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.8 m -86.0 -18.0 33.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.096 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.436 HD11 ' HB2' ' A' ' 37' ' ' PHE . 59.5 mt -75.78 97.39 1.38 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 174.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.6 m -114.03 124.85 30.23 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 -175.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -58.49 141.25 97.11 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.548 2.166 . . . . 0.0 110.795 172.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.459 ' HA ' ' HB3' ' A' ' 52' ' ' PHE . 6.2 t -64.13 -13.87 51.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.584 0.23 . . . . 0.0 111.577 -177.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.94 -30.28 69.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.107 0.479 . . . . 0.0 110.458 175.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -104.75 -27.22 11.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.114 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.459 ' HB3' ' HA ' ' A' ' 49' ' ' THR . 63.2 t80 -57.91 -35.45 71.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.557 -176.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.549 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 27.6 m -75.51 -8.79 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -177.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.447 ' CH2' ' HB3' ' A' ' 9' ' ' CYS . 97.6 m95 -102.68 124.85 48.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.136 0.493 . . . . 0.0 111.005 -178.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.4 t -110.01 111.72 23.28 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.5 t -67.24 115.45 6.92 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.0 m -107.46 -27.1 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -175.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -161.25 108.49 1.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.884 0.374 . . . . 0.0 111.953 -178.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 55.93 -92.8 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.703 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -111.6 -11.84 13.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.437 0.636 . . . . 0.0 110.021 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.551 ' HA ' ' HB3' ' A' ' 102' ' ' GLN . 30.2 t -71.91 109.51 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.359 -177.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 70.1 mtm -99.95 132.15 45.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.317 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -95.56 120.54 35.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.142 177.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -70.1 111.77 5.99 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 174.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.86 107.61 3.56 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.089 -176.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.576 ' HB3' ' CE2' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -68.96 -17.65 63.97 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 122.611 -0.347 . . . . 0.0 111.027 176.337 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.531 ' OE1' ' HD3' ' A' ' 66' ' ' ARG . 1.7 mp0 -56.74 -30.58 63.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.608 0.718 . . . . 0.0 109.986 175.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.549 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 12.9 mm-40 -66.5 -31.51 72.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.321 -176.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.575 HD13 ' HA ' ' A' ' 66' ' ' ARG . 10.0 mp -63.39 -28.51 70.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -178.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -67.52 -30.84 70.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.727 0.299 . . . . 0.0 110.612 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.532 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 61.8 mt -74.55 -34.89 36.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.408 0.623 . . . . 0.0 110.161 178.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.0 mt -74.13 -29.77 61.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.356 0.598 . . . . 0.0 109.908 175.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.7 tp -66.88 -38.69 86.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.622 -178.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 71' ' ' ILE . 13.5 pt-20 -69.49 -29.25 66.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.945 0.402 . . . . 0.0 110.051 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.414 ' NE2' ' HA ' ' A' ' 29' ' ' ILE . 4.5 tp-100 -69.4 -45.55 68.96 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 175.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 65.17 30.97 11.19 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 114.671 -1.149 . . . . 0.0 112.319 169.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.472 HD11 HG21 ' A' ' 30' ' ' VAL . 1.8 pp -117.07 55.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.48 0.657 . . . . 0.0 110.826 175.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.507 ' HA ' HD13 ' A' ' 83' ' ' ILE . 46.3 t-20 -55.12 -36.2 65.46 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.75 -177.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -59.95 -33.5 72.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.394 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -79.45 -54.46 5.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.848 0.356 . . . . 0.0 111.197 -176.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.54 -26.51 64.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.988 -177.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.6 t30 62.84 83.87 0.15 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.138 -174.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.507 HD13 ' HA ' ' A' ' 78' ' ' ASN . 1.9 mp -80.91 128.2 38.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 176.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.573 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -55.2 145.47 30.64 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.69 -0.686 . . . . 0.0 113.039 -176.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.559 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 2.5 mp0 -55.69 -48.15 97.13 Favored Pre-proline 0 C--N 1.321 -0.66 0 C-N-CA 122.67 0.388 . . . . 0.0 111.643 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.559 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 38.2 Cg_exo -59.73 -26.31 81.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 C-N-CA 122.014 1.809 . . . . 0.0 112.245 175.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.573 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.4 mm? -68.89 -35.04 76.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.865 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.666 ' O ' ' HD3' ' A' ' 92' ' ' ARG . 10.4 mp -63.99 -43.46 95.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.714 174.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.479 HG12 HD13 ' A' ' 3' ' ' ILE . 16.7 t -63.44 -34.93 70.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.27 0.557 . . . . 0.0 109.97 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.636 ' HB2' HD11 ' A' ' 8' ' ' ILE . 7.0 t80 -64.75 -33.88 77.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.353 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.7 tt -72.2 -32.39 66.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.032 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.666 ' HD3' ' O ' ' A' ' 88' ' ' LEU . 4.2 mpt_? -60.09 -59.71 4.99 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.933 176.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.599 ' HG3' HD11 ' A' ' 3' ' ' ILE . 6.6 ptp180 -149.25 131.99 15.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.017 0.437 . . . . 0.0 110.629 173.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.45 ' O ' ' HG3' ' A' ' 94' ' ' GLN . 11.4 pt20 -83.14 100.51 10.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.602 0.715 . . . . 0.0 109.992 176.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.771 ' HB2' HG13 ' A' ' 3' ' ' ILE . 16.4 t70 -68.25 -41.68 80.78 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 175.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.1 mp -117.64 102.63 51.56 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.217 173.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -57.2 -43.34 53.77 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.889 2.393 . . . . 0.0 112.265 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -116.48 92.16 3.8 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.531 178.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.441 HG21 ' SG ' ' A' ' 9' ' ' CYS . 51.4 mt -83.22 104.8 12.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 175.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.4 p -101.42 123.44 45.49 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.736 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.94 136.83 47.64 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.742 -177.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.551 ' HB3' ' HA ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER . . . . . 0 C--N 1.32 -0.703 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.119 177.148 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 m . . . . . 0 C--O 1.236 0.384 0 N-CA-C 110.407 -0.22 . . . . 0.0 110.407 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.636 HG13 ' HB3' ' A' ' 95' ' ' ASP . 38.2 mm -67.77 141.65 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.151 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.421 ' OG1' ' HB ' ' A' ' 8' ' ' ILE . 30.2 p -91.05 -175.19 4.24 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.383 -172.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.503 ' O ' HG22 ' A' ' 8' ' ' ILE . 13.2 m -78.59 -170.2 2.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.011 -178.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.1 m -50.45 -23.75 2.65 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.642 0.777 . . . . 0.0 112.689 -175.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -52.83 -29.89 30.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.4 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.536 HD11 ' HB2' ' A' ' 90' ' ' TYR . 16.5 tt -63.83 -34.78 70.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-O 120.967 0.413 . . . . 0.0 110.811 -179.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.3 m -74.51 -39.99 62.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.514 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -74.19 -36.75 64.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.146 -177.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.79 -32.51 71.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.438 ' HB2' HD11 ' A' ' 87' ' ' LEU . . . -66.11 -25.67 67.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.896 0.379 . . . . 0.0 111.625 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -86.61 -17.61 33.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.289 0.566 . . . . 0.0 110.028 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.91 2.25 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.197 -175.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.416 HD11 ' H ' ' A' ' 84' ' ' GLY . 11.0 mp -66.29 169.37 7.33 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.779 0.323 . . . . 0.0 110.965 177.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.454 ' HG2' ' HB2' ' A' ' 82' ' ' ASN . 17.7 ptpt -141.24 157.08 45.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.798 0.333 . . . . 0.0 110.692 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.52 154.43 17.04 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.35 178.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -118.75 122.87 43.46 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.51 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 12.1 p -114.04 134.43 56.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.594 -173.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.76 175.92 29.54 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.347 -176.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -100.64 123.62 45.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.841 0.353 . . . . 0.0 110.9 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.505 ' HB3' HG22 ' A' ' 25' ' ' THR . 24.5 t-20 -94.94 114.58 26.43 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.445 ' HG2' ' HB3' ' A' ' 40' ' ' ASP . 13.4 ptm180 -71.38 -20.86 62.09 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -172.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.494 ' HB2' ' OD1' ' A' ' 40' ' ' ASP . 3.5 ttmp? -76.35 -49.65 16.29 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 122.131 -0.356 . . . . 0.0 110.883 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.505 HG22 ' HB3' ' A' ' 22' ' ' ASN . 12.1 t -81.82 -24.41 35.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.942 0.401 . . . . 0.0 110.72 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.47 40.58 27.43 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.863 175.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.491 ' HG2' HG23 ' A' ' 25' ' ' THR . 32.1 ptt180 -154.25 168.02 27.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.867 0.365 . . . . 0.0 110.97 177.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.47 ' CE2' HG22 ' A' ' 19' ' ' VAL . 2.2 t80 -96.71 119.99 36.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.784 -174.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 pp -130.19 159.55 42.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.712 0.291 . . . . 0.0 111.761 -174.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.51 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 8.3 p -116.3 145.21 22.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.84 -178.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.47 148.02 45.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -73.28 -41.35 63.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.422 -176.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.2 m -101.19 134.13 44.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.17 -176.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -66.33 -45.35 80.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.104 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -61.78 -17.23 55.25 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.915 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.6 m -83.73 25.79 0.75 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.895 0.379 . . . . 0.0 111.469 -175.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -90.34 149.32 22.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.961 0.41 . . . . 0.0 110.117 177.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.96 176.6 24.86 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.231 176.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 26.3 mmt -69.92 -0.73 7.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.201 0.524 . . . . 0.0 111.019 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.494 ' OD1' ' HB2' ' A' ' 24' ' ' LYS . 14.9 m-20 -82.21 -11.37 58.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.291 175.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.2 t -129.44 123.91 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.681 -179.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.13 142.57 47.48 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -64.07 -27.37 69.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.61 0.243 . . . . 0.0 111.167 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -71.63 -29.63 64.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.934 0.397 . . . . 0.0 110.371 174.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.0 m -82.03 -6.51 59.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.294 -177.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.1 mt -69.99 101.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.8 m -101.03 117.18 62.91 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.134 -175.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -61.37 130.71 33.02 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.318 2.012 . . . . 0.0 110.299 171.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.403 HG23 ' HB3' ' A' ' 15' ' ' LEU . 9.0 t -60.53 -25.77 66.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.485 0.183 . . . . 0.0 111.456 -177.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.6 m -68.99 -17.33 63.91 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 120.88 0.371 . . . . 0.0 110.945 177.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -115.48 3.31 14.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.176 0.512 . . . . 0.0 110.105 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -93.04 -44.21 8.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.607 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.551 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 34.4 m -68.86 -21.98 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.987 -178.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -87.46 115.55 24.96 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 173.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.5 t -98.9 111.56 23.92 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.97 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.3 m -74.51 114.1 12.52 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.1 m -110.84 -4.87 11.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.449 0.642 . . . . 0.0 109.725 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.478 ' HB3' ' HB ' ' A' ' 61' ' ' VAL . 33.9 ttt180 -151.63 166.3 31.65 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -61.43 -51.96 66.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.821 0.343 . . . . 0.0 111.351 -176.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -97.82 -32.56 11.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.478 ' HB ' ' HB3' ' A' ' 58' ' ' ARG . 46.0 t -91.52 115.19 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.153 0.501 . . . . 0.0 111.827 -174.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.426 ' O ' ' HA ' ' A' ' 100' ' ' THR . 62.4 mtm -108.06 157.94 17.83 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.765 175.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -130.24 144.2 51.23 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 176.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.537 HD12 ' CE2' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -73.93 118.94 17.47 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 175.353 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -99.88 112.27 4.4 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.114 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.519 ' HA ' HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -70.73 -18.89 62.78 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 122.415 -0.462 . . . . 0.0 111.719 178.407 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -63.17 -23.68 67.54 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.123 0.487 . . . . 0.0 110.814 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.551 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 8.3 mm-40 -67.14 -34.95 78.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.127 -178.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 66' ' ' ARG . 8.3 mp -68.3 -27.66 66.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.201 -0.908 . . . . 0.0 111.152 -176.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -61.53 -33.79 74.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.658 0.266 . . . . 0.0 111.1 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . 0.438 ' O ' ' HG3' ' A' ' 74' ' ' GLU . 64.1 mt -69.22 -39.92 79.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.247 0.546 . . . . 0.0 110.09 178.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.5 mt -73.1 -25.18 60.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.593 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.7 tp -68.81 -27.13 65.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.191 -174.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.492 ' OE2' ' HB2' ' A' ' 75' ' ' GLN . 0.8 OUTLIER -82.49 -22.12 35.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.174 0.511 . . . . 0.0 110.6 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.492 ' HB2' ' OE2' ' A' ' 74' ' ' GLU . 6.0 tp-100 -108.81 89.11 2.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.678 176.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -73.63 84.9 1.59 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.194 0.521 . . . . 0.0 111.328 -176.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 pp -135.57 56.49 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.568 174.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.44 ' HA ' HD13 ' A' ' 83' ' ' ILE . 15.4 m120 -56.62 -35.37 68.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.806 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -27.56 66.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.109 177.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.452 ' HD2' ' HA ' ' A' ' 80' ' ' ARG . 16.6 tpt180 -84.98 -52.4 6.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.837 0.351 . . . . 0.0 111.167 -176.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 81' ' ' LEU . 8.1 tt -85.41 -25.38 27.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -174.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.454 ' HB2' ' HG2' ' A' ' 16' ' ' LYS . 0.9 OUTLIER 65.26 72.08 0.43 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.165 0.507 . . . . 0.0 110.778 -175.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 78' ' ' ASN . 3.2 mp -77.44 124.27 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 175.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.582 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -54.92 141.36 36.83 Favored Glycine 0 N--CA 1.451 -0.339 0 O-C-N 123.577 0.548 . . . . 0.0 112.783 -178.223 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.544 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 2.0 mp0 -58.39 -49.12 95.29 Favored Pre-proline 0 C--N 1.321 -0.643 0 C-N-CA 122.635 0.374 . . . . 0.0 111.91 -177.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.544 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 28.5 Cg_exo -63.74 -16.08 52.66 Favored 'Trans proline' 0 C--N 1.358 1.064 0 C-N-CA 121.999 1.799 . . . . 0.0 112.32 177.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.582 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.1 mm? -72.29 -32.26 66.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.235 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.49 ' O ' ' HG3' ' A' ' 92' ' ' ARG . 3.5 mm? -63.39 -31.34 72.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.275 0.559 . . . . 0.0 109.589 174.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.519 HG12 HD13 ' A' ' 3' ' ' ILE . 54.0 t -68.65 -42.55 83.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.4 177.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.537 ' CE2' HD12 ' A' ' 64' ' ' LEU . 12.9 t80 -65.62 -30.49 71.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.83 178.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 60.8 tp -69.45 -35.71 75.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.527 177.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 88' ' ' LEU . 54.5 mtt180 -58.55 -58.65 7.62 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 121.147 0.498 . . . . 0.0 110.525 178.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.442 ' O ' HD11 ' A' ' 3' ' ' ILE . 4.3 ptp180 -144.99 132.06 20.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.286 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -87.06 61.9 7.05 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.443 0.64 . . . . 0.0 109.45 172.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.636 ' HB3' HG13 ' A' ' 3' ' ' ILE . 19.1 t70 -53.15 -44.76 68.06 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.525 178.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 80.6 mt -96.04 101.2 7.88 Favored Pre-proline 0 N--CA 1.446 -0.641 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 166.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -69.04 -18.35 40.45 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.644 2.229 . . . . 0.0 112.666 -171.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -150.44 92.76 1.89 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.072 0.463 . . . . 0.0 111.356 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 63.5 mt -75.06 104.73 3.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 168.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 62' ' ' MET . 5.6 p -99.02 137.75 37.1 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.233 0.54 . . . . 0.0 111.49 -174.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.22 120.68 36.83 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.441 178.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.416 ' HB3' HG22 ' A' ' 61' ' ' VAL . 10.8 pt20 . . . . . 0 C--N 1.32 -0.684 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.691 -178.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 m . . . . . 0 N--CA 1.452 -0.341 0 CA-C-O 120.672 0.272 . . . . 0.0 110.799 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.618 HG13 ' H ' ' A' ' 95' ' ' ASP . 45.5 mm -86.09 137.58 20.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 174.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.3 p -91.72 -175.56 4.2 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.213 0.53 . . . . 0.0 111.985 -172.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 m -69.75 -168.42 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.255 -177.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.5 m -49.44 -22.79 1.27 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.704 0.802 . . . . 0.0 112.541 -176.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -52.62 -24.97 9.41 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 122.674 0.39 . . . . 0.0 111.969 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.705 HG13 ' HB2' ' A' ' 86' ' ' PRO . 19.6 tt -62.54 -34.83 67.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 120.911 0.386 . . . . 0.0 110.765 178.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.5 t -74.89 -35.23 62.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.217 0.532 . . . . 0.0 110.237 177.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -72.99 -34.0 66.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.108 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . 0.566 ' HB1' ' HA3' ' A' ' 84' ' ' GLY . . . -62.72 -32.12 73.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.49 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.491 ' HA ' HD13 ' A' ' 15' ' ' LEU . . . -67.69 -19.66 65.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.365 0.603 . . . . 0.0 110.754 178.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -85.62 -11.98 52.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.028 178.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.87 -1.83 57.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.661 -177.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.607 ' HB3' HG23 ' A' ' 49' ' ' THR . 11.0 mp -71.32 128.76 36.96 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 175.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -129.28 143.35 50.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.078 0.466 . . . . 0.0 111.075 -174.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.58 166.06 13.21 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.89 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -111.88 132.62 54.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.817 0.341 . . . . 0.0 110.434 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.51 HG23 ' HB ' ' A' ' 49' ' ' THR . 47.8 t -101.79 130.86 50.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.29 162.54 27.22 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.23 -0.986 . . . . 0.0 112.575 -178.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -109.45 114.56 28.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.882 0.372 . . . . 0.0 110.062 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -89.21 101.17 13.83 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -69.39 -20.95 63.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.791 -174.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -53.32 -45.79 69.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.979 0.418 . . . . 0.0 110.79 176.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.7 t -105.07 -13.3 15.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.579 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.89 49.88 26.53 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.762 177.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -151.1 162.88 40.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.74 -0.271 . . . . 0.0 110.413 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -86.8 138.53 31.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.968 177.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.4 pp -132.56 160.33 42.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.691 178.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.2 m -118.29 128.7 75.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.161 177.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.621 ' HG3' ' HE2' ' A' ' 37' ' ' PHE . 11.1 mmt180 -135.49 164.65 27.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.753 -177.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.553 ' HZ ' ' HG3' ' A' ' 80' ' ' ARG . 85.3 m-85 -111.87 -21.95 11.35 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.382 0.61 . . . . 0.0 109.72 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.417 ' HB3' ' HB2' ' A' ' 36' ' ' SER . 36.5 t -106.97 112.92 26.11 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.672 174.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.47 -19.08 63.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.674 0.749 . . . . 0.0 109.496 175.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -77.07 -13.78 59.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.733 -1.122 . . . . 0.0 110.758 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.417 ' HB2' ' HB3' ' A' ' 33' ' ' SER . 4.4 t -63.66 -33.31 75.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.171 -174.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.621 ' HE2' ' HG3' ' A' ' 31' ' ' ARG . 69.6 m-85 -105.75 162.89 13.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.506 178.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.32 -130.08 3.03 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.302 -0.951 . . . . 0.0 113.141 -177.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -59.79 -21.25 60.56 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -170.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -73.54 -31.09 63.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.03 0.443 . . . . 0.0 110.794 -179.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.85 127.24 69.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.797 -176.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.09 120.5 12.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -67.48 -18.34 65.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.5 -174.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -74.42 -21.67 59.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.319 . . . . 0.0 110.894 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.4 m -81.34 -19.65 42.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.572 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 59.9 mt -73.03 98.14 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.629 178.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.7 m -115.94 134.53 22.72 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.234 -172.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -51.95 126.08 19.04 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.846 2.364 . . . . 0.0 111.178 173.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.607 HG23 ' HB3' ' A' ' 15' ' ' LEU . 9.6 t -61.89 -25.78 67.76 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -173.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.42 ' O ' HG22 ' A' ' 53' ' ' VAL . 31.4 t -64.85 -43.37 93.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.554 0.216 . . . . 0.0 110.836 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.608 ' HA ' ' HD1' ' A' ' 54' ' ' TRP . 34.2 tt0 -87.28 -14.53 40.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.317 0.58 . . . . 0.0 110.258 -178.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -67.21 -25.39 66.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.845 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.579 ' HA ' ' HG2' ' A' ' 68' ' ' GLN . 10.7 m -87.29 -3.61 9.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.468 -176.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.608 ' HD1' ' HA ' ' A' ' 51' ' ' GLU . 98.1 m95 -99.45 118.38 35.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.009 0.433 . . . . 0.0 110.72 -179.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.2 m -90.9 112.89 24.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.195 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.456 ' HA ' ' HG2' ' A' ' 62' ' ' MET . 20.3 m -65.47 124.48 22.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.526 179.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.5 m -115.14 7.55 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -177.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.446 ' HB3' HG12 ' A' ' 61' ' ' VAL . 29.6 ttm180 -166.39 -77.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.66 178.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.431 ' OD1' ' HG2' ' A' ' 58' ' ' ARG . 6.3 m-20 -135.97 -87.11 0.34 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.578 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 9.8 t70 -95.59 -23.06 17.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.061 175.664 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.446 HG12 ' HB3' ' A' ' 58' ' ' ARG . 7.5 p -69.78 120.33 17.3 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 CA-C-O 121.732 0.777 . . . . 0.0 110.454 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.456 ' HG2' ' HA ' ' A' ' 56' ' ' SER . 57.3 mtt -126.73 149.44 49.59 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.482 -178.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.523 ' HB2' ' HB2' ' A' ' 98' ' ' GLU . 31.3 ptt180 -111.35 146.63 36.76 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.542 ' HB2' ' HB ' ' A' ' 99' ' ' ILE . 0.8 OUTLIER -63.09 110.5 1.85 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 177.666 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.697 ' O ' ' HG3' ' A' ' 68' ' ' GLN . . . -87.29 120.07 5.42 Favored Glycine 0 N--CA 1.439 -1.11 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.26 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.3 ptm85 -70.76 -13.05 61.91 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 117.412 0.606 . . . . 0.0 110.985 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.433 ' HG3' ' H ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -65.25 -27.27 68.53 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -178.372 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.697 ' HG3' ' O ' ' A' ' 65' ' ' GLY . 3.3 pp0? -65.34 -30.16 70.97 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 111.086 174.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.62 ' HG ' ' NE2' ' A' ' 68' ' ' GLN . 81.6 mt -60.97 -30.92 70.54 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.795 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.884 HE21 ' HA ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -69.3 -34.04 74.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.878 0.37 . . . . 0.0 110.339 178.641 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.8 mt -73.63 -48.22 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.222 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.67 -27.6 69.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.939 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.5 tp -56.93 -28.7 62.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.049 -178.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -82.06 -13.46 57.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.9 0.381 . . . . 0.0 111.091 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -122.25 90.85 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.84 0.352 . . . . 0.0 110.091 -179.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . 0.427 ' N ' HD22 ' A' ' 76' ' ' ASN . 0.9 OUTLIER -79.75 35.13 0.29 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.191 0.519 . . . . 0.0 111.653 -174.813 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.418 ' H ' HG13 ' A' ' 77' ' ' ILE . 1.7 pp -93.81 53.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.267 -179.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.544 ' HA ' HD13 ' A' ' 83' ' ' ILE . 2.5 m-20 -58.72 -31.52 68.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.338 -178.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -68.25 -29.17 67.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.349 0.595 . . . . 0.0 110.912 177.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.553 ' HG3' ' HZ ' ' A' ' 32' ' ' PHE . 3.9 tpt180 -81.35 -51.63 8.14 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.479 -175.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.4 tp -89.55 -22.21 22.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.311 -173.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.3 t30 64.13 85.49 0.14 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.063 -177.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.544 HD13 ' HA ' ' A' ' 78' ' ' ASN . 2.4 mp -88.87 132.0 34.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.321 176.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.566 ' HA3' ' HB1' ' A' ' 11' ' ' ALA . . . -56.9 146.48 35.4 Favored Glycine 0 N--CA 1.452 -0.268 0 O-C-N 123.624 0.577 . . . . 0.0 113.195 -176.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.597 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 17.2 tp10 -54.24 -56.03 30.67 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.705 ' HB2' HG13 ' A' ' 8' ' ' ILE . 11.2 Cg_exo -72.24 -1.53 10.26 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 121.947 1.765 . . . . 0.0 112.993 -177.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.523 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.9 mm? -73.71 -28.91 61.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 176.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.3 mp -66.18 -45.9 79.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.731 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.8 m -71.75 -34.29 51.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.996 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.517 ' HB2' HD11 ' A' ' 8' ' ' ILE . 36.8 t80 -59.55 -35.81 74.96 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.354 0.597 . . . . 0.0 109.935 175.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.523 HD12 HD22 ' A' ' 69' ' ' LEU . 7.1 tt -67.75 -50.52 56.83 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.931 176.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.0 mmt85 -54.94 -53.51 54.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.955 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.429 ' O ' HD11 ' A' ' 3' ' ' ILE . 13.0 ttm180 -166.86 115.06 0.84 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.047 0.451 . . . . 0.0 109.935 174.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -78.91 120.31 23.33 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.737 -177.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.618 ' H ' HG13 ' A' ' 3' ' ' ILE . 26.8 t70 -75.15 -27.73 59.85 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 175.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 94.5 mt -99.38 123.57 47.93 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.078 171.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.01 -30.36 93.16 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.705 2.27 . . . . 0.0 111.936 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.523 ' HB2' ' HB2' ' A' ' 63' ' ' ARG . 9.2 pt-20 -166.57 122.75 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.173 176.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.542 ' HB ' ' HB2' ' A' ' 64' ' ' LEU . 67.3 mt -78.61 113.83 18.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.8 p -95.03 127.79 41.36 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.167 0.508 . . . . 0.0 111.42 -176.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.98 127.57 38.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.484 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 . . . . . 0 C--N 1.32 -0.689 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.638 176.344 . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m . . . . . 0 C--O 1.233 0.189 0 CA-C-O 120.522 0.201 . . . . 0.0 110.665 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.891 HG21 ' HB2' ' A' ' 95' ' ' ASP . 42.4 mm -70.75 141.84 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.5 p -98.24 174.39 6.53 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.357 0.599 . . . . 0.0 112.315 -174.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 m -80.74 -164.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.946 174.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.7 m -47.89 -20.05 0.28 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.601 0.761 . . . . 0.0 112.567 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -50.17 -30.54 11.59 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.705 0.402 . . . . 0.0 110.947 175.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.643 HD11 ' HB2' ' A' ' 90' ' ' TYR . 16.8 tt -58.26 -34.75 50.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.097 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.435 ' HG ' ' HH2' ' A' ' 54' ' ' TRP . 41.5 t -74.19 -39.49 63.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.621 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -74.16 -36.73 64.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 -176.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.72 -19.09 65.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.488 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.6 -16.69 62.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.136 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -94.51 -9.03 36.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.436 0.636 . . . . 0.0 110.054 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.25 -8.22 59.71 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.804 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 83' ' ' ILE . 14.3 mt -68.23 135.75 52.47 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 176.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.523 ' HE2' ' OD1' ' A' ' 82' ' ' ASN . 61.1 pttt -132.78 133.78 43.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.354 0.597 . . . . 0.0 111.389 -179.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.38 166.35 11.66 Favored Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.425 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.423 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 77.5 m-85 -113.12 137.39 51.51 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.799 0.333 . . . . 0.0 110.19 -178.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.9 t -105.41 124.45 60.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 174.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -142.33 164.04 27.01 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.297 -0.954 . . . . 0.0 112.74 -174.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -98.3 116.56 30.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.819 0.342 . . . . 0.0 110.367 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . 0.438 ' OD1' HG22 ' A' ' 25' ' ' THR . 26.6 t-20 -90.89 119.81 31.39 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 176.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.509 ' HD3' ' OD1' ' A' ' 40' ' ' ASP . 4.4 ptm180 -78.91 -16.0 57.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.341 -172.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.87 ' HE2' ' HA ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -72.8 -55.61 6.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.665 0.269 . . . . 0.0 110.399 -179.641 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.45 HG23 ' H ' ' A' ' 27' ' ' ARG . 12.2 t -84.52 -15.42 45.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.001 0.429 . . . . 0.0 110.127 177.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.27 22.42 78.54 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.403 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.45 ' H ' HG23 ' A' ' 25' ' ' THR . 1.2 mmp_? -114.64 156.38 24.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.732 0.301 . . . . 0.0 110.406 -176.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -96.21 105.29 17.32 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 pp -122.76 178.49 3.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.182 0.515 . . . . 0.0 112.307 -167.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.454 HG11 HD22 ' A' ' 81' ' ' LEU . 34.6 m -107.53 148.92 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.856 -179.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -152.34 132.13 13.23 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -86.03 -30.23 22.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.188 0.518 . . . . 0.0 109.882 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 m -81.1 112.51 18.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.709 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -28.22 66.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.21 0.528 . . . . 0.0 109.784 177.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.95 -13.26 32.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.709 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.3 m -77.64 55.88 1.39 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.904 0.383 . . . . 0.0 111.326 -178.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.4 ' HA ' ' HB ' ' A' ' 41' ' ' VAL . 3.3 p90 -145.94 -178.2 6.0 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 176.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 167.9 -120.19 0.89 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.724 -0.75 . . . . 0.0 111.966 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.9 ptp -94.93 -25.0 16.73 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.775 0.321 . . . . 0.0 110.404 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.509 ' OD1' ' HD3' ' A' ' 23' ' ' ARG . 3.6 m-20 -89.32 -12.49 40.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.048 178.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.4 ' HB ' ' HA ' ' A' ' 37' ' ' PHE . 57.4 t -118.95 109.56 27.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.633 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.5 135.06 49.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.805 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -67.67 -29.95 69.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.426 -175.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -69.07 -24.37 64.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.395 0.617 . . . . 0.0 110.068 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.451 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 24.8 m -90.42 11.38 21.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.728 -174.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.2 mt -110.04 106.66 21.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.392 174.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.1 m -119.05 117.31 33.61 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.712 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 18' ' ' PHE . 45.6 Cg_exo -55.27 132.6 53.19 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.481 2.121 . . . . 0.0 111.056 175.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.9 t -62.49 -20.5 64.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.636 0.255 . . . . 0.0 111.428 -175.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.48 -23.97 67.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.162 0.506 . . . . 0.0 110.673 177.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -116.37 -18.69 10.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.502 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -59.56 -38.89 82.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.511 -177.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.9 m -74.48 -10.44 13.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.713 0.292 . . . . 0.0 111.544 -177.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.435 ' HH2' ' HG ' ' A' ' 9' ' ' CYS . 99.7 m95 -100.35 116.79 33.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.035 0.445 . . . . 0.0 110.963 -179.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.731 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . 18.7 m -86.86 117.51 25.65 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 174.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.8 p -79.95 114.94 19.24 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.172 0.511 . . . . 0.0 110.641 -178.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.4 m -106.58 -16.33 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.513 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 34.8 mmt180 -146.11 -75.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.55 178.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 58' ' ' ARG . 33.0 t70 163.16 -53.81 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 114.081 -1.418 . . . . 0.0 107.854 -176.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.467 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 10.9 t70 -75.46 -37.63 60.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.513 -1.221 . . . . 0.0 108.792 175.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.7 t -98.92 125.72 52.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.42 178.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 67.4 mtt -131.84 144.81 51.17 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 176.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.731 ' HG3' ' HB2' ' A' ' 55' ' ' SER . 7.9 ptp180 -115.0 143.67 44.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.68 0.276 . . . . 0.0 110.973 179.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.8 116.45 24.9 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.98 121.68 6.63 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.918 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 66' ' ' ARG . 13.9 mtm-85 -70.95 -36.88 72.77 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 122.459 -0.436 . . . . 0.0 111.083 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -57.25 -23.83 50.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.142 -177.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -62.7 -42.79 99.82 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.801 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.3 mt -70.73 -28.75 64.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.237 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.515 ' HA ' ' CD2' ' A' ' 73' ' ' LEU . 53.7 mt-30 -68.93 -22.11 64.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.675 177.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 71.6 mt -75.44 -37.16 37.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.201 0.524 . . . . 0.0 110.043 172.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.7 mt -75.53 -30.9 59.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.879 -175.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.515 ' CD2' ' HA ' ' A' ' 70' ' ' GLN . 4.5 pp -64.36 -23.37 67.27 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 121.181 -0.208 . . . . 0.0 111.092 -179.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -56.62 -34.5 67.31 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.013 176.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.454 ' HB3' HG13 ' A' ' 77' ' ' ILE . 26.7 mp0 -87.77 -36.87 17.06 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 72.04 7.61 5.82 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.689 171.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.588 ' HB ' ' HB3' ' A' ' 80' ' ' ARG . 1.4 pp -85.44 72.0 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.676 0.75 . . . . 0.0 111.811 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.612 ' HA ' HD13 ' A' ' 83' ' ' ILE . 17.0 m120 -60.65 -38.92 86.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.62 -177.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -76.15 -28.67 57.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.696 0.284 . . . . 0.0 110.96 -177.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.588 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 61.2 ttt180 -69.32 -54.81 12.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.023 0.439 . . . . 0.0 110.582 -179.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 83' ' ' ILE . 20.6 tp -86.83 -15.55 38.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.328 -175.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.523 ' OD1' ' HE2' ' A' ' 16' ' ' LYS . 0.9 OUTLIER 69.36 57.76 0.35 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.08 -179.405 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.612 HD13 ' HA ' ' A' ' 78' ' ' ASN . 3.3 mp -73.7 125.78 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 176.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.651 ' HA3' HD23 ' A' ' 87' ' ' LEU . . . -64.81 150.2 51.44 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.823 -0.626 . . . . 0.0 113.308 -176.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.548 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 46.6 mt-10 -71.22 -45.35 14.05 Favored Pre-proline 0 C--N 1.322 -0.619 0 C-N-CA 122.316 0.246 . . . . 0.0 111.425 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.548 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 51.6 Cg_exo -57.59 -21.9 48.94 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 121.845 1.697 . . . . 0.0 111.726 171.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.651 HD23 ' HA3' ' A' ' 84' ' ' GLY . 3.6 mm? -78.45 -37.05 44.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.668 177.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.2 mt -66.35 -39.34 89.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.828 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.468 HG22 ' HA ' ' A' ' 86' ' ' PRO . 18.6 m -70.35 -32.78 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.458 178.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.643 ' HB2' HD11 ' A' ' 8' ' ' ILE . 13.2 t80 -64.28 -29.15 70.25 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.347 0.594 . . . . 0.0 109.98 176.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.1 tp -73.43 -31.3 63.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.08 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -68.0 -62.52 1.37 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 175.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 62.3 mtm180 -146.45 168.09 22.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.355 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -124.19 127.5 47.82 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.215 0.531 . . . . 0.0 110.63 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.891 ' HB2' HG21 ' A' ' 3' ' ' ILE . 19.5 t70 -74.32 -30.4 62.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.089 -179.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.431 HD12 HG12 ' A' ' 99' ' ' ILE . 95.9 mt -112.04 143.57 29.0 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.179 175.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -51.73 -43.47 50.93 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.654 2.236 . . . . 0.0 111.947 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -148.09 114.57 5.96 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 173.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.431 HG12 HD12 ' A' ' 96' ' ' LEU . 32.1 mt -72.62 104.03 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 119.464 -0.894 . . . . 0.0 109.532 175.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.533 HG23 ' HB3' ' A' ' 63' ' ' ARG . 1.6 m -122.66 120.74 34.6 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 176.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -118.43 126.05 51.24 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.143 0.497 . . . . 0.0 110.24 -173.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.467 ' HA ' ' O ' ' A' ' 60' ' ' ASP . 13.4 pt20 . . . . . 0 C--N 1.317 -0.843 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.977 178.96 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m . . . . . 0 N--CA 1.453 -0.296 0 N-CA-C 110.138 -0.319 . . . . 0.0 110.138 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.651 HG13 ' HB2' ' A' ' 95' ' ' ASP . 48.0 mm -69.56 134.32 30.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.928 0.394 . . . . 0.0 110.509 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.8 p -92.94 -175.2 3.81 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.394 -176.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.453 ' O ' HG22 ' A' ' 8' ' ' ILE . 9.2 t -78.97 -168.36 1.43 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.478 176.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.6 m -49.7 -22.36 1.35 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.541 0.736 . . . . 0.0 112.414 -176.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.33 -24.26 7.24 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 122.756 0.423 . . . . 0.0 111.38 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.611 HD11 ' HB2' ' A' ' 90' ' ' TYR . 15.1 tt -59.7 -50.89 78.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.54 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.524 ' HB2' ' CH2' ' A' ' 54' ' ' TRP . 26.6 p -75.39 -29.77 59.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.068 0.461 . . . . 0.0 110.008 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -62.64 -39.04 92.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.761 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.92 -30.42 70.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.192 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.633 ' HB2' HD11 ' A' ' 87' ' ' LEU . . . -71.62 -34.91 70.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.387 0.613 . . . . 0.0 110.266 177.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -76.72 -17.71 58.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.241 177.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.25 6.44 48.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.566 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.1 mt -67.01 160.15 27.12 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 177.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HB3' ' NZ ' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -129.79 143.28 50.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.79 0.329 . . . . 0.0 110.96 -178.13 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.38 151.66 7.9 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.941 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -114.04 116.47 29.22 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.427 HG12 ' CD2' ' A' ' 28' ' ' TYR . 2.5 t -95.99 123.99 48.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -176.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -141.32 -179.49 18.58 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.24 -175.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.528 ' O ' HG21 ' A' ' 41' ' ' VAL . 85.0 t80 -95.97 135.78 37.27 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.767 0.318 . . . . 0.0 110.727 -177.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -108.87 117.25 33.71 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 175.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -69.49 -29.36 66.98 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -173.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -70.45 -49.81 44.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.609 0.242 . . . . 0.0 111.357 -177.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.9 p -80.71 -21.16 41.45 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.927 0.394 . . . . 0.0 110.901 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.55 27.4 67.58 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.149 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.435 ' HG3' HG23 ' A' ' 29' ' ' ILE . 16.5 ptm180 -136.2 166.37 23.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.987 0.422 . . . . 0.0 111.076 -176.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.427 ' CD2' HG12 ' A' ' 19' ' ' VAL . 6.0 t80 -96.47 115.16 26.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.314 -178.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.435 HG23 ' HG3' ' A' ' 27' ' ' ARG . 2.6 pp -127.77 170.31 17.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.983 0.42 . . . . 0.0 112.033 -171.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.652 HG11 HD23 ' A' ' 81' ' ' LEU . 61.5 t -98.02 133.0 41.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.146 0.498 . . . . 0.0 111.43 -177.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -124.02 168.96 12.14 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 173.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -118.37 -4.18 10.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.218 0.532 . . . . 0.0 110.652 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.549 ' HB2' ' HB3' ' A' ' 36' ' ' SER . 6.4 m -103.59 122.15 44.38 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 171.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -64.57 -32.03 73.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.834 0.35 . . . . 0.0 110.978 -178.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -107.42 32.18 4.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.456 0.646 . . . . 0.0 110.286 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.549 ' HB3' ' HB2' ' A' ' 33' ' ' SER . 4.6 p -60.13 -42.61 95.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.536 177.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.436 ' HB2' HD11 ' A' ' 46' ' ' ILE . 88.8 m-85 -97.77 125.54 42.65 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.489 175.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.05 -98.65 2.51 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.252 -0.975 . . . . 0.0 111.833 -178.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 21.9 ptp -74.75 -10.95 60.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.326 0.584 . . . . 0.0 109.961 176.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.62 -57.86 4.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.503 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 21' ' ' PHE . 60.3 t -135.13 139.67 46.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.422 -177.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.75 136.03 57.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.418 0.449 . . . . 0.0 111.155 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -62.15 -20.64 64.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.542 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -68.27 -22.94 64.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.656 176.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.7 m -93.03 10.22 32.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.394 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.436 HD11 ' HB2' ' A' ' 37' ' ' PHE . 62.6 mt -112.11 109.77 29.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 175.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.0 m -121.41 126.17 26.6 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.215 -172.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -55.91 131.24 44.77 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.677 2.251 . . . . 0.0 111.534 175.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.482 ' HA ' ' HB3' ' A' ' 52' ' ' PHE . 9.2 t -64.76 -16.07 62.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.776 0.322 . . . . 0.0 111.069 -177.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.92 -30.85 71.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.704 177.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . 0.663 ' HA ' ' HD1' ' A' ' 54' ' ' TRP . 34.2 tt0 -116.85 -16.09 10.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.506 -177.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.482 ' HB3' ' HA ' ' A' ' 49' ' ' THR . 67.6 t80 -65.29 -23.12 66.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.227 0.537 . . . . 0.0 110.674 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.597 HG21 ' HB1' ' A' ' 12' ' ' ALA . 35.0 m -79.19 -8.87 11.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.105 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.663 ' HD1' ' HA ' ' A' ' 51' ' ' GLU . 97.0 m95 -101.13 136.24 41.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.511 0.672 . . . . 0.0 111.187 -176.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . 0.482 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 46.1 t -117.92 112.8 20.81 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.678 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.9 t -69.96 121.8 18.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.984 0.421 . . . . 0.0 110.507 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.45 HG11 ' HD3' ' A' ' 63' ' ' ARG . 18.9 m -115.45 3.88 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.004 -178.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.544 ' HB2' ' HB ' ' A' ' 61' ' ' VAL . 1.6 mmt180 -161.34 -172.01 3.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.708 178.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.87 -47.53 84.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.081 0.467 . . . . 0.0 110.718 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -123.13 -22.4 5.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.389 -177.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.544 ' HB ' ' HB2' ' A' ' 58' ' ' ARG . 30.8 t -80.35 119.47 29.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.191 -176.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 65.7 mtt -114.35 158.62 21.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.863 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 55' ' ' SER . 29.1 ptt180 -122.13 151.51 40.88 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 64' ' ' LEU . 1.1 tm? -78.07 115.08 17.54 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 173.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.74 131.88 10.99 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.151 -174.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.2 mtm-85 -69.46 -18.03 63.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.817 0.341 . . . . 0.0 111.472 174.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -67.43 -24.4 65.64 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -174.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -62.61 -34.92 77.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.214 0.53 . . . . 0.0 110.397 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.5 mt -66.6 -34.08 77.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.72 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.423 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 11.7 mm100 -60.38 -40.65 91.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.226 -178.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 67.6 mt -75.06 -44.0 44.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.998 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 71.9 mt -68.07 -32.88 73.52 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -176.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.3 pp -66.16 -26.3 67.36 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.83 0.347 . . . . 0.0 111.059 -178.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -68.02 -28.45 67.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.326 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -85.77 -37.97 18.72 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 58.75 55.25 4.77 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.762 0.791 . . . . 0.0 110.446 176.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.675 ' HB ' ' HB2' ' A' ' 80' ' ' ARG . 6.9 pt -130.42 49.12 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.184 -0.917 . . . . 0.0 109.542 -176.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.56 ' HA ' HD13 ' A' ' 83' ' ' ILE . 25.6 p-10 -53.6 -42.44 67.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.401 -0.818 . . . . 0.0 113.095 -171.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -78.46 -29.76 47.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.181 0.515 . . . . 0.0 110.454 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.675 ' HB2' ' HB ' ' A' ' 77' ' ' ILE . 20.8 mtp180 -68.73 -44.02 74.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.103 177.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.652 HD23 HG11 ' A' ' 30' ' ' VAL . 2.5 tm? -83.63 -19.42 35.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.024 -178.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.492 ' HB2' ' O ' ' A' ' 81' ' ' LEU . 0.9 OUTLIER 77.41 34.82 0.35 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.592 178.587 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.644 HD12 ' HB3' ' A' ' 81' ' ' LEU . 2.5 mp -59.76 121.26 7.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.928 0.394 . . . . 0.0 110.118 176.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.598 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -62.64 155.09 41.62 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.285 -0.87 . . . . 0.0 113.496 -176.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.55 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 2.0 mp0 -60.47 -47.75 95.47 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 85' ' ' GLU . 20.8 Cg_endo -61.59 -15.98 45.15 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 122.261 1.974 . . . . 0.0 112.746 176.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 12' ' ' ALA . 4.1 mm? -72.57 -29.94 63.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.177 178.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.5 mp -74.16 -43.81 55.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.199 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 86' ' ' PRO . 19.4 m -65.49 -32.71 59.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.904 0.383 . . . . 0.0 110.425 -178.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.611 ' HB2' HD11 ' A' ' 8' ' ' ILE . 85.4 t80 -56.46 -38.24 71.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.981 174.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 91' ' ' LEU . 2.9 tm? -73.5 -35.5 65.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.923 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.453 ' HA ' ' NE ' ' A' ' 92' ' ' ARG . 4.0 mmp_? -59.25 -54.29 48.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.085 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.622 ' NH1' ' HA ' ' A' ' 95' ' ' ASP . 3.0 tmm_? -159.95 101.72 1.45 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -66.56 131.05 45.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.166 0.508 . . . . 0.0 110.039 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.651 ' HB2' HG13 ' A' ' 3' ' ' ILE . 33.5 t70 -84.02 -54.41 4.87 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.544 -179.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 2.8 mm? -90.28 128.2 50.22 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 173.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 96' ' ' LEU . 52.3 Cg_exo -54.97 -50.79 12.03 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.761 2.307 . . . . 0.0 111.844 -178.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -134.94 103.81 5.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.559 176.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 61.2 mt -72.68 107.59 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.0 p -96.64 137.46 35.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.547 0.689 . . . . 0.0 112.386 -174.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.54 129.71 53.92 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.187 175.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 . . . . . 0 C--N 1.317 -0.807 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -176.972 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 m . . . . . 0 N--CA 1.452 -0.328 0 CA-C-O 120.719 0.295 . . . . 0.0 110.498 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.827 HD11 ' HB2' ' A' ' 93' ' ' ARG . 48.2 mm -75.48 145.13 11.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.163 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.9 p -92.54 178.87 5.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.254 0.549 . . . . 0.0 111.612 -177.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.415 ' O ' HG22 ' A' ' 8' ' ' ILE . 23.2 t -87.29 -169.61 2.69 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.698 178.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 m -50.76 -21.25 1.55 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.752 0.821 . . . . 0.0 112.327 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.62 -27.48 11.43 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 122.868 0.467 . . . . 0.0 111.354 177.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.589 HD11 ' HB2' ' A' ' 90' ' ' TYR . 13.7 tt -56.54 -36.48 48.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-O 121.043 0.449 . . . . 0.0 110.969 178.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.9 t -74.38 -32.16 62.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.623 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -74.19 -39.43 63.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.356 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.66 -30.32 71.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.443 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.484 ' HB1' HG21 ' A' ' 53' ' ' VAL . . . -67.08 -32.63 73.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.174 0.511 . . . . 0.0 110.593 177.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -76.12 -25.24 55.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.986 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.71 14.01 9.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.263 -175.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.3 mt -76.33 151.05 36.8 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 176.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.522 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 8.3 ptpp? -125.04 147.52 48.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.97 0.414 . . . . 0.0 111.244 -178.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.82 146.72 6.92 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.203 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -111.64 118.93 37.02 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.47 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 3.0 t -93.7 131.16 41.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -175.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.607 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -137.86 160.08 25.19 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.072 -176.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -91.82 134.16 35.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.929 0.395 . . . . 0.0 110.616 -178.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -106.51 111.23 23.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.684 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -76.34 -8.94 58.18 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -174.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -81.02 -45.03 17.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.094 0.473 . . . . 0.0 110.376 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.1 p -92.19 -20.71 20.91 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.057 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.27 34.2 46.69 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.118 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -137.13 170.19 16.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.96 0.409 . . . . 0.0 111.022 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -105.4 113.96 27.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.332 -176.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.78 ' HA ' HE22 ' A' ' 75' ' ' GLN . 2.4 pp -122.68 158.83 26.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.962 0.411 . . . . 0.0 112.084 -172.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.639 HG23 HE21 ' A' ' 75' ' ' GLN . 24.5 t -97.61 125.25 50.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.538 -178.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -113.6 141.1 47.6 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.102 176.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.9 12.0 32.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.56 0.695 . . . . 0.0 109.827 177.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 m -136.04 106.37 6.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.297 177.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -61.19 -30.52 70.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.07 0.462 . . . . 0.0 111.247 -177.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -79.49 15.57 1.26 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.038 -173.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 61.2 p -96.91 -6.22 36.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.064 0.459 . . . . 0.0 110.33 178.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -140.97 118.81 11.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.545 175.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.75 -90.61 2.08 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.014 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -106.04 11.11 31.88 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.176 0.512 . . . . 0.0 109.984 178.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -84.02 9.47 12.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.663 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.404 HG22 ' HB2' ' A' ' 45' ' ' SER . 11.6 p -162.44 152.86 3.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.2 140.13 56.08 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 175.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -61.03 -32.38 71.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.065 0.459 . . . . 0.0 110.57 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.58 -15.8 63.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.919 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.607 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 67.0 m -94.07 -1.17 54.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.122 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.2 mt -105.21 103.18 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 169.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.4 m -129.19 123.6 21.76 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.891 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -56.73 133.67 59.51 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.464 2.109 . . . . 0.0 110.901 173.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.534 ' HA ' ' HB3' ' A' ' 52' ' ' PHE . 9.6 t -63.39 -17.56 62.76 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -175.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -62.44 -47.39 84.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.169 0.509 . . . . 0.0 109.884 175.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -88.41 -17.12 31.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.93 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.534 ' HB3' ' HA ' ' A' ' 49' ' ' THR . 63.4 t80 -63.2 -26.06 68.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 -178.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.484 HG21 ' HB1' ' A' ' 12' ' ' ALA . 11.5 m -87.03 -5.81 10.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.995 -178.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -112.36 119.61 38.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.1 0.476 . . . . 0.0 111.43 -177.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.2 t -99.89 114.04 27.0 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.694 175.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.7 p -67.16 117.17 8.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.207 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.412 HG11 ' HD3' ' A' ' 63' ' ' ARG . 25.1 m -109.49 -4.9 10.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.566 -177.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.477 ' HB3' HG12 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -164.86 -151.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.587 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.41 ' H ' ' HG3' ' A' ' 58' ' ' ARG . 29.8 t70 -58.17 -59.28 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.336 -173.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -127.21 -21.86 3.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.887 0.375 . . . . 0.0 111.143 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.477 HG12 ' HB3' ' A' ' 58' ' ' ARG . 8.9 p -71.98 123.82 27.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-O 121.75 0.786 . . . . 0.0 111.578 -177.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 59.1 mtt -117.0 155.13 29.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.087 176.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.536 ' HG2' HG22 ' A' ' 100' ' ' THR . 30.0 mtp180 -120.55 147.67 44.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.632 0.253 . . . . 0.0 110.694 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -80.58 123.36 28.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.124 -177.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -99.33 120.39 6.84 Favored Glycine 0 CA--C 1.519 0.292 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.298 178.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -68.1 -18.34 64.62 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.849 0.357 . . . . 0.0 111.578 -178.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.78 -24.35 66.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.708 -176.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.544 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 1.5 pp0? -56.72 -39.49 74.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.814 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.535 HD12 ' HG3' ' A' ' 68' ' ' GLN . 5.8 mp -65.8 -36.4 83.41 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.922 0.391 . . . . 0.0 110.696 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.619 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 17.2 mt-30 -73.07 -30.98 64.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -177.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.5 mt -74.06 -42.47 52.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-O 120.89 0.376 . . . . 0.0 110.165 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 59.4 mt -67.44 -28.25 67.73 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -177.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.2 pp -66.02 -26.28 67.45 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.047 -178.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -80.91 -18.12 48.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.999 0.428 . . . . 0.0 110.769 178.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.78 HE22 ' HA ' ' A' ' 29' ' ' ILE . 5.1 mm100 -79.59 -36.35 38.25 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.582 -178.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 66.42 10.62 7.43 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.245 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.409 ' H ' HG13 ' A' ' 77' ' ' ILE . 1.9 pp -105.15 40.17 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.578 0.704 . . . . 0.0 110.461 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.471 ' HA ' HD13 ' A' ' 83' ' ' ILE . 2.1 m-20 -55.96 -32.86 64.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.49 -177.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -69.98 -32.04 70.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.215 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -84.33 -39.15 19.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.881 0.372 . . . . 0.0 110.854 -174.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 8.0 tt -76.03 -22.52 55.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.273 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.5 m120 61.16 73.66 0.47 Allowed 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.791 -178.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 78' ' ' ASN . 3.0 mp -77.57 132.16 33.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.689 177.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.57 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -61.45 148.34 47.0 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.778 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.541 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 43.0 tt0 -63.41 -49.2 79.87 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -179.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 85' ' ' GLU . 12.4 Cg_endo -56.97 -19.44 32.34 Favored 'Trans proline' 0 C--N 1.359 1.092 0 C-N-CA 122.263 1.975 . . . . 0.0 112.57 176.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.57 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.0 mm? -70.12 -36.39 74.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.039 177.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.9 -32.23 69.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.08 0.467 . . . . 0.0 109.855 175.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 62.1 t -65.79 -39.73 85.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.957 175.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.589 ' HB2' HD11 ' A' ' 8' ' ' ILE . 68.0 t80 -60.28 -32.08 70.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.881 177.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 52.0 tp -68.81 -28.09 66.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.335 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -80.24 -65.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.228 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.827 ' HB2' HD11 ' A' ' 3' ' ' ILE . 27.7 mmt180 -142.43 172.52 12.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.581 ' OE1' ' HA ' ' A' ' 97' ' ' PRO . 5.7 pt20 -146.05 123.59 11.76 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.346 0.594 . . . . 0.0 111.119 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.807 ' HB2' HG21 ' A' ' 3' ' ' ILE . 11.3 t70 -58.48 -50.16 74.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.734 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.3 mt -119.7 117.49 32.58 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.146 174.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.581 ' HA ' ' OE1' ' A' ' 94' ' ' GLN . 55.6 Cg_endo -71.52 -24.87 21.77 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.373 2.048 . . . . 0.0 111.871 -178.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -112.87 84.57 2.01 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.054 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 66.4 mt -86.94 114.72 26.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.438 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.536 HG22 ' HG2' ' A' ' 63' ' ' ARG . 18.7 p -109.55 149.54 29.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.839 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -133.72 120.17 20.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.581 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 20.1 pm0 . . . . . 0 C--N 1.321 -0.634 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.422 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 m . . . . . 0 N--CA 1.453 -0.312 0 CA-C-O 120.533 0.206 . . . . 0.0 110.454 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.455 HD11 ' O ' ' A' ' 93' ' ' ARG . 47.2 mm -72.2 149.41 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.17 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.5 p -90.79 -176.67 4.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.951 -176.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -75.09 -171.68 1.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -51.88 -23.02 4.3 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.351 0.66 . . . . 0.0 112.067 -177.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -52.36 -26.25 11.86 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.67 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.586 HG13 ' HB2' ' A' ' 86' ' ' PRO . 12.8 tt -58.9 -34.37 52.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 120.908 0.385 . . . . 0.0 110.459 177.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.5 m -74.99 -35.76 62.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.116 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -74.0 -34.25 64.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.148 -177.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.22 -15.49 62.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.658 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.541 ' HB1' HG21 ' A' ' 53' ' ' VAL . . . -71.47 -15.92 62.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.152 0.501 . . . . 0.0 110.613 176.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -79.3 -16.39 56.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.049 178.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.32 -15.17 59.54 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.16 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.522 HD13 ' HA ' ' A' ' 12' ' ' ALA . 10.2 mp -65.19 121.2 14.21 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.64 144.62 43.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.763 -173.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.403 ' O ' HG22 ' A' ' 49' ' ' THR . . . 105.66 -173.08 19.91 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.206 -177.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.431 ' CZ ' ' HG2' ' A' ' 34' ' ' GLU . 66.9 m-85 -122.45 147.81 45.88 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.941 0.4 . . . . 0.0 110.371 -177.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.55 HG12 ' CD1' ' A' ' 28' ' ' TYR . 11.5 t -105.01 124.03 59.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 171.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.508 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -124.61 134.18 8.93 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.054 -1.07 . . . . 0.0 112.757 -174.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.506 ' HB3' ' HB3' ' A' ' 45' ' ' SER . 83.6 t80 -80.4 102.85 9.88 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 176.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -90.77 109.05 20.24 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.361 -176.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.52 ' HG2' HG22 ' A' ' 41' ' ' VAL . 5.9 ptm180 -66.27 -14.03 61.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.603 -178.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . 0.433 ' HB2' ' HE2' ' A' ' 24' ' ' LYS . 18.0 ttmm -75.31 -35.67 61.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.009 0.433 . . . . 0.0 110.25 -178.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.2 p -100.89 -22.14 14.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.672 175.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.79 18.21 66.14 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.797 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 27' ' ' ARG . 49.0 mtt180 -140.32 164.98 28.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 110.971 -175.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.55 ' CD1' HG12 ' A' ' 19' ' ' VAL . 3.6 m-85 -77.31 135.67 38.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.613 173.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 pp -132.59 160.03 42.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.714 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -82.71 135.26 25.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.274 0.559 . . . . 0.0 110.434 176.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.546 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 1.1 tpm_? -138.03 132.44 32.18 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -116.23 10.48 14.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.16 0.505 . . . . 0.0 110.479 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.584 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 7.1 m -118.52 116.66 27.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.869 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.431 ' HG2' ' CZ ' ' A' ' 18' ' ' PHE . 34.3 mt-10 -69.75 -27.69 65.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.331 -176.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -100.89 13.34 35.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.59 -177.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.584 ' HB2' ' HB2' ' A' ' 33' ' ' SER . 5.0 t -55.83 -58.65 6.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.081 -172.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -89.34 138.46 31.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.778 0.323 . . . . 0.0 110.872 -174.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.74 -94.25 0.73 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.996 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.65 -3.19 3.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.655 0.264 . . . . 0.0 111.285 178.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.518 ' O ' ' HD3' ' A' ' 23' ' ' ARG . 31.4 t70 -65.64 -46.11 80.48 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 174.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.52 HG22 ' HG2' ' A' ' 23' ' ' ARG . 49.7 t -106.33 136.07 42.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.785 177.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.51 141.93 56.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.731 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -73.27 -18.85 61.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.885 177.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.42 -16.04 63.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.112 176.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.508 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 49.8 m -91.57 1.21 57.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.715 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.8 mt -99.8 118.39 46.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.2 m -137.41 124.6 13.87 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.519 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.47 132.97 47.34 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.569 2.179 . . . . 0.0 111.194 177.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.472 HG23 ' HB3' ' A' ' 15' ' ' LEU . 10.0 t -65.33 -25.06 67.44 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -173.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.0 t -70.87 -30.4 66.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.926 0.393 . . . . 0.0 110.288 177.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -90.54 -32.16 16.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.253 0.549 . . . . 0.0 110.185 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -58.33 -29.92 66.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.908 -175.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.541 HG21 ' HB1' ' A' ' 12' ' ' ALA . 19.0 m -77.84 -20.34 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.792 0.33 . . . . 0.0 111.353 -177.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.407 ' HB3' ' HB3' ' A' ' 62' ' ' MET . 98.0 m95 -102.83 136.71 42.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.943 0.401 . . . . 0.0 110.934 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.7 m -114.63 105.89 13.59 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.898 174.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -71.3 115.26 10.25 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.8 m -123.22 -30.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -171.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.3 ttt-85 -147.58 124.34 11.2 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.179 -172.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 51.82 -102.61 0.13 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.627 0.58 . . . . 0.0 111.698 178.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -127.44 21.35 6.62 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.307 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.793 ' HA ' ' HA ' ' A' ' 102' ' ' GLN . 5.2 t -102.03 118.16 48.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.499 -176.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.407 ' HB3' ' HB3' ' A' ' 54' ' ' TRP . 2.5 mpp? -106.68 128.12 53.93 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 177.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.56 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 3.6 ptm180 -100.11 147.71 25.37 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 119.754 -0.778 . . . . 0.0 109.693 178.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -70.3 113.63 7.65 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.87 94.95 1.0 Allowed Glycine 0 N--CA 1.441 -1.018 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.14 -15.76 4.19 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.976 0.417 . . . . 0.0 112.051 -176.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.88 -24.43 66.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.132 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.471 ' HG3' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -59.28 -38.46 80.23 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.696 0.284 . . . . 0.0 110.741 -178.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.471 HD12 ' HG3' ' A' ' 68' ' ' GLN . 3.9 mp -73.61 -33.29 64.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.746 0.308 . . . . 0.0 110.274 -176.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.461 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 14.6 mm100 -67.89 -33.98 75.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.159 178.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.7 mt -75.37 -46.79 37.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.113 176.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 25.4 mt -67.93 -25.06 65.28 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -173.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.4 pp -62.95 -24.46 67.89 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.537 -177.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.407 ' N ' HD12 ' A' ' 73' ' ' LEU . 35.0 mt-10 -74.78 -18.91 60.4 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.034 0.445 . . . . 0.0 110.464 176.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -100.72 87.61 3.38 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 172.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -70.31 -8.26 49.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.989 -171.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.401 ' H ' HG13 ' A' ' 77' ' ' ILE . 1.3 pp -79.79 67.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.3 0.571 . . . . 0.0 112.275 -177.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.525 ' HA ' HD13 ' A' ' 83' ' ' ILE . 52.7 m-80 -64.92 -27.87 69.14 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 174.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -60.45 -33.24 72.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.858 -1.065 . . . . 0.0 110.941 174.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -87.42 -54.01 4.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.3 -172.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.7 tp -79.12 -19.88 50.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.903 -176.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.1 t30 63.83 85.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.125 -177.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.525 HD13 ' HA ' ' A' ' 78' ' ' ASN . 2.7 mp -94.42 132.68 37.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 174.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.611 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -56.22 148.03 29.91 Favored Glycine 0 C--N 1.33 0.209 0 CA-C-N 116.202 -0.454 . . . . 0.0 113.394 -175.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.452 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 4.0 mp0 -57.79 -52.75 72.12 Favored Pre-proline 0 C--N 1.324 -0.506 0 C-N-CA 122.463 0.305 . . . . 0.0 111.683 -178.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.586 ' HB2' HG13 ' A' ' 8' ' ' ILE . 20.2 Cg_endo -62.33 -17.3 56.64 Favored 'Trans proline' 0 C--N 1.358 1.051 0 C-N-CA 121.903 1.735 . . . . 0.0 112.349 177.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.611 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.0 mm? -70.23 -41.61 73.34 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 175.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.53 ' HA ' HD23 ' A' ' 91' ' ' LEU . 8.6 mp -64.69 -31.2 72.31 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.948 173.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.594 ' O ' ' HB2' ' A' ' 92' ' ' ARG . 85.3 t -62.77 -34.33 65.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.191 174.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -64.17 -36.76 85.12 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 175.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' A' ' 88' ' ' LEU . 2.6 mm? -65.4 -23.95 67.09 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.096 177.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.594 ' HB2' ' O ' ' A' ' 89' ' ' VAL . 8.5 mmm180 -59.64 -52.39 65.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.471 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.455 ' O ' HD11 ' A' ' 3' ' ' ILE . 13.4 tpt180 -163.14 123.64 2.31 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.538 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -78.08 72.19 4.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.669 0.747 . . . . 0.0 110.114 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.469 ' O ' ' HD3' ' A' ' 97' ' ' PRO . 20.8 t70 -66.26 -46.87 75.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.782 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.715 HD23 HG12 ' A' ' 99' ' ' ILE . 35.4 tp -97.04 103.12 13.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 176.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . 0.469 ' HD3' ' O ' ' A' ' 95' ' ' ASP . 8.5 Cg_exo -72.18 -24.1 20.46 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.824 2.35 . . . . 0.0 112.248 -176.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -128.51 94.72 3.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.49 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.715 HG12 HD23 ' A' ' 96' ' ' LEU . 54.7 mt -94.19 120.38 43.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.557 171.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.56 ' HA ' ' HA ' ' A' ' 63' ' ' ARG . 4.4 m -133.41 120.93 21.56 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -127.8 124.65 38.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.153 0.502 . . . . 0.0 111.16 -176.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.793 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 30.2 pt20 . . . . . 0 C--N 1.321 -0.66 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.047 178.877 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 m . . . . . 0 N--CA 1.451 -0.394 0 CA-C-O 120.748 0.308 . . . . 0.0 110.451 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.661 HG13 ' HB2' ' A' ' 95' ' ' ASP . 33.4 mm -81.74 159.9 3.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . 0.4 ' N ' HG22 ' A' ' 3' ' ' ILE . 35.0 p -92.5 -175.32 3.95 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.076 0.465 . . . . 0.0 111.501 -176.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 m -75.04 -170.25 1.09 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.326 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.0 m -51.2 -22.4 2.6 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.065 0.546 . . . . 0.0 111.766 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -51.87 -20.56 2.33 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.717 177.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.622 HD11 ' HB2' ' A' ' 90' ' ' TYR . 16.2 tt -55.23 -47.7 77.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.7 p -76.04 -29.65 58.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.032 0.444 . . . . 0.0 110.375 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -63.21 -41.13 99.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.569 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.13 79.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.865 178.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.439 ' HB2' HD11 ' A' ' 87' ' ' LEU . . . -66.95 -30.49 70.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.02 0.438 . . . . 0.0 110.851 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -75.01 -28.08 60.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.69 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.06 5.78 39.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.855 -176.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.538 HD22 ' O ' ' A' ' 82' ' ' ASN . 58.2 mt -71.36 128.73 36.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.828 0.347 . . . . 0.0 110.869 -179.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -114.08 145.21 41.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.971 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.578 ' O ' ' HA ' ' A' ' 48' ' ' PRO . . . 133.12 149.12 6.07 Favored Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -177.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -111.46 131.77 54.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.324 0.562 . . . . 0.0 110.942 -175.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.0 t -108.82 140.38 27.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.15 176.22 28.88 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.65 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -111.97 114.44 27.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.907 0.384 . . . . 0.0 110.503 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -87.86 107.12 18.53 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.657 ' HG2' ' HB3' ' A' ' 40' ' ' ASP . 9.8 ptp180 -77.86 -13.13 59.99 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -171.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -68.94 -46.63 67.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.1 0.476 . . . . 0.0 109.742 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.0 p -88.07 -25.3 23.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.552 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.89 29.68 50.64 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 -177.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -130.24 159.77 35.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 -176.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -79.23 141.81 36.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.421 173.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.7 pt -129.01 156.74 41.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.965 -176.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.79 HG11 ' HG ' ' A' ' 81' ' ' LEU . 59.2 t -117.99 114.93 46.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.528 173.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.735 ' HG3' ' H ' ' A' ' 33' ' ' SER . 28.2 tpt180 -123.63 147.0 47.77 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.756 -175.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -112.55 9.94 19.53 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.512 0.673 . . . . 0.0 109.777 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.735 ' H ' ' HG3' ' A' ' 31' ' ' ARG . 14.7 m -124.42 118.8 27.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.042 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . 0.411 ' O ' ' HD1' ' A' ' 37' ' ' PHE . 43.4 mt-10 -69.3 -22.06 63.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.882 0.373 . . . . 0.0 110.73 178.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -80.23 11.7 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.755 -175.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.6 m -99.45 -0.95 39.74 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -173.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.413 ' HD2' ' O ' ' A' ' 41' ' ' VAL . 4.4 p90 -95.61 132.74 40.45 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.917 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.49 -114.14 3.73 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.905 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.9 mmt -102.97 -10.27 19.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.018 0.437 . . . . 0.0 110.236 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.657 ' HB3' ' HG2' ' A' ' 23' ' ' ARG . 7.1 m-20 -83.27 -60.46 2.14 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.169 -178.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.413 ' O ' ' HD2' ' A' ' 37' ' ' PHE . 57.7 t -85.89 114.16 25.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.761 -177.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.41 154.37 29.02 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 172.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -66.86 -13.91 62.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.726 0.298 . . . . 0.0 110.986 -178.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.14 -27.61 66.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.026 0.441 . . . . 0.0 110.219 176.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.6 t -85.65 -14.01 46.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.471 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.3 mt -83.11 110.32 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.053 0.454 . . . . 0.0 110.093 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.1 m -136.95 124.59 14.38 Favored Pre-proline 0 C--N 1.318 -0.803 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.679 -179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.578 ' HA ' ' O ' ' A' ' 17' ' ' GLY . 32.1 Cg_exo -57.64 143.15 95.57 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.627 2.218 . . . . 0.0 111.387 175.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.43 ' HA ' ' HB3' ' A' ' 52' ' ' PHE . 6.6 t -61.44 -21.51 64.21 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -175.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.2 t -62.68 -56.75 14.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.181 0.515 . . . . 0.0 110.08 174.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -75.64 -11.62 60.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.75 -178.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.43 ' HB3' ' HA ' ' A' ' 49' ' ' THR . 80.7 t80 -75.64 -40.04 56.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.103 -178.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.427 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 34.9 m -79.33 -13.32 13.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -175.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -96.71 133.29 41.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.979 0.418 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.8 m -118.3 113.49 21.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.311 177.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 62' ' ' MET . 17.1 m -76.88 115.02 16.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.353 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.0 m -95.55 -25.09 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.971 0.415 . . . . 0.0 111.05 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -113.38 -73.34 0.67 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -170.13 -64.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 175.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -84.55 -34.82 23.17 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 172.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 35.3 t -72.05 108.59 3.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.85 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.403 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 44.7 mtm -111.99 145.14 40.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.948 178.015 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.513 ' HG2' HG22 ' A' ' 100' ' ' THR . 43.1 mtp180 -109.89 148.19 32.01 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -78.02 113.46 15.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.48 107.56 3.53 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.137 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.535 ' HA ' HD13 ' A' ' 69' ' ' LEU . 2.2 ppt_? -69.91 -18.59 63.4 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.319 -0.518 . . . . 0.0 111.912 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . 0.446 ' N ' ' HD2' ' A' ' 66' ' ' ARG . 7.0 mm-40 -63.03 -24.9 68.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.319 0.581 . . . . 0.0 110.531 177.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.427 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 10.1 mm-40 -70.34 -41.99 72.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.039 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.535 HD13 ' HA ' ' A' ' 66' ' ' ARG . 7.6 mp -64.45 -28.77 69.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.438 -179.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -62.82 -34.43 77.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.798 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 54.2 mt -74.89 -33.14 29.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.185 0.517 . . . . 0.0 110.354 177.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.7 mt -74.48 -43.9 53.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.414 -176.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 pp -61.05 -24.23 66.05 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -175.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -58.6 -34.1 70.73 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.902 0.382 . . . . 0.0 110.439 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -98.21 96.0 7.79 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 175.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -79.47 82.62 5.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.243 0.544 . . . . 0.0 112.456 -167.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.486 ' HB ' ' HB3' ' A' ' 80' ' ' ARG . 1.0 OUTLIER -149.08 76.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.946 169.842 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -52.95 -44.38 67.05 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.093 -174.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -75.94 -36.97 59.16 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.066 -176.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.486 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 64.3 ttt180 -71.01 -51.03 27.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.378 . . . . 0.0 110.364 -176.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.79 ' HG ' HG11 ' A' ' 30' ' ' VAL . 2.0 tt -68.46 -25.13 64.84 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.538 ' O ' HD22 ' A' ' 15' ' ' LEU . 3.3 t-20 70.98 76.97 0.18 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.963 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.485 ' CD1' ' HB3' ' A' ' 81' ' ' LEU . 3.1 mp -104.01 125.75 58.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 171.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.609 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -59.87 146.62 44.71 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.373 -177.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.478 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 30.4 tt0 -62.98 -43.32 81.87 Favored Pre-proline 0 C--N 1.317 -0.822 0 O-C-N 122.913 -0.169 . . . . 0.0 111.366 -179.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.533 ' CB ' ' HA ' ' A' ' 8' ' ' ILE . 50.3 Cg_exo -57.58 -19.83 38.88 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 122.006 1.804 . . . . 0.0 112.465 171.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.609 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.3 mm? -78.58 -30.36 46.69 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 177.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . 0.566 ' O ' ' HG2' ' A' ' 92' ' ' ARG . 11.0 mp -64.8 -45.96 84.07 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.495 176.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 34.0 m -68.39 -33.21 59.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.263 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.622 ' HB2' HD11 ' A' ' 8' ' ' ILE . 70.3 t80 -62.77 -35.71 80.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.18 175.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 91' ' ' LEU . 0.6 OUTLIER -70.52 -35.68 73.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.654 178.034 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 88' ' ' LEU . 10.8 mmp_? -61.42 -57.54 11.8 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -153.92 137.46 15.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.225 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -81.66 134.28 35.46 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.139 0.495 . . . . 0.0 110.351 -179.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.661 ' HB2' HG13 ' A' ' 3' ' ' ILE . 29.2 t70 -86.27 -48.11 8.81 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.786 178.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.55 ' O ' HG13 ' A' ' 99' ' ' ILE . 94.1 mt -123.67 106.48 32.15 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.613 176.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -63.63 -4.05 6.42 Favored 'Trans proline' 0 N--CA 1.474 0.332 0 C-N-CA 123.159 2.572 . . . . 0.0 112.619 176.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -129.12 46.72 2.58 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.522 -175.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 96' ' ' LEU . 64.5 mt -71.65 109.43 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.267 0.556 . . . . 0.0 109.528 175.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.513 HG22 ' HG2' ' A' ' 63' ' ' ARG . 2.7 p -125.72 152.54 45.17 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.224 -175.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -127.81 125.24 39.43 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 174.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 . . . . . 0 C--N 1.321 -0.653 0 CA-C-O 121.065 0.46 . . . . 0.0 110.993 -178.301 . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 p . . . . . 0 N--CA 1.452 -0.344 0 CA-C-O 120.787 0.327 . . . . 0.0 111.167 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.573 HG13 ' H ' ' A' ' 95' ' ' ASP . 34.2 mm -69.12 141.1 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.722 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.4 p -91.73 -173.81 3.65 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.026 -173.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.438 ' O ' HG22 ' A' ' 8' ' ' ILE . 10.6 m -65.41 -172.11 0.1 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.434 -176.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 m -52.75 -22.63 5.48 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.421 0.688 . . . . 0.0 112.296 -176.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.67 -28.31 14.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.933 178.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.606 HD11 ' HB2' ' A' ' 90' ' ' TYR . 15.4 tt -61.0 -39.2 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 120.943 0.401 . . . . 0.0 110.796 177.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.7 t -75.17 -33.07 61.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.525 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -72.97 -38.82 66.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.229 -177.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.57 -27.9 67.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.763 0.316 . . . . 0.0 111.0 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.72 -17.88 64.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.121 0.486 . . . . 0.0 110.831 178.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -90.02 -24.06 21.32 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.124 177.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.05 0.93 52.18 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.526 -176.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.533 ' HB2' ' HB3' ' A' ' 50' ' ' SER . 50.7 mt -65.15 125.58 25.44 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -122.0 146.32 47.27 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.911 0.386 . . . . 0.0 110.372 -177.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 121.64 148.86 7.95 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -175.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -112.09 129.21 56.3 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.815 0.308 . . . . 0.0 110.315 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.36 137.68 32.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.053 0.454 . . . . 0.0 110.41 176.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -147.5 145.38 13.97 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.369 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -78.26 114.12 16.85 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -88.66 118.21 28.17 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HG2' ' HB3' ' A' ' 40' ' ' ASP . 3.1 ptm180 -64.76 -24.9 67.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.739 -177.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -76.41 -52.14 10.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 111.102 -176.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.6 p -80.65 -26.67 37.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.168 0.509 . . . . 0.0 110.878 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.73 25.98 57.27 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.102 178.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -133.89 169.23 17.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.043 0.449 . . . . 0.0 111.309 -178.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -96.08 107.38 19.68 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 pp -116.65 158.38 17.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.991 0.424 . . . . 0.0 111.777 -172.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.5 p -104.4 148.71 8.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.432 -178.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.51 147.22 23.13 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -93.82 -5.13 48.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.023 0.439 . . . . 0.0 110.876 -178.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . 0.413 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 16.4 m -119.84 110.48 16.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.44 -174.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -62.74 -30.83 71.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.706 174.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -70.2 -6.7 36.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.321 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . 0.413 ' HB2' ' HB2' ' A' ' 33' ' ' SER . 8.7 t -91.74 -1.71 57.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.184 0.516 . . . . 0.0 109.955 -176.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -106.66 121.14 43.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.412 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.72 -121.88 1.01 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.955 177.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -104.8 -7.22 19.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.901 0.381 . . . . 0.0 110.378 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.402 ' HB3' ' HG2' ' A' ' 23' ' ' ARG . 42.8 m-20 -65.67 -47.98 73.68 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.496 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.6 t -99.41 119.75 47.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.239 176.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.22 145.54 55.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.029 -177.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -63.41 -29.49 70.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.558 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -79.67 -18.62 50.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.622 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 98.5 p -89.64 -9.64 48.89 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.987 0.422 . . . . 0.0 110.152 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.2 mt -79.81 102.15 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 174.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.8 m -124.46 129.65 24.59 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.565 -177.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -55.69 139.69 83.49 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.354 2.036 . . . . 0.0 111.151 173.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.518 HG23 ' HB3' ' A' ' 15' ' ' LEU . 7.5 t -59.04 -26.7 64.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.655 0.264 . . . . 0.0 111.375 -177.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . 0.533 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 1.2 p -71.22 -42.89 68.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.061 0.457 . . . . 0.0 110.634 175.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -73.27 -23.48 60.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.213 0.53 . . . . 0.0 110.037 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -68.44 -45.09 73.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.3 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.5 m -72.54 -21.83 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.501 -175.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.487 ' HD1' ' O ' ' A' ' 50' ' ' SER . 98.9 m95 -91.79 120.75 32.79 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.136 0.493 . . . . 0.0 110.518 178.157 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.8 m -119.65 113.56 20.86 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.692 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.588 ' HA ' ' HA ' ' A' ' 62' ' ' MET . 10.7 t -72.59 127.73 33.44 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.41 -177.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.2 m -104.34 0.42 10.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.596 0.713 . . . . 0.0 109.749 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.457 ' HA ' ' HD2' ' A' ' 58' ' ' ARG . 6.1 tpt180 -149.03 -154.14 0.54 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.432 -179.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . 0.427 ' H ' ' HG3' ' A' ' 58' ' ' ARG . 36.0 t70 -89.56 -36.85 15.1 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.75 178.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . 0.543 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 7.4 m-20 -126.9 11.7 7.18 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.612 177.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.458 HG22 ' HB3' ' A' ' 102' ' ' GLN . 19.5 t -112.01 111.57 36.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.702 0.287 . . . . 0.0 110.304 -177.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.588 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 58.5 mtm -115.19 139.2 50.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.833 -177.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.576 ' NH2' ' HA2' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -107.45 142.05 37.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.322 176.339 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 64' ' ' LEU . 1.5 tm? -76.44 117.85 18.52 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 173.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . 0.576 ' HA2' ' NH2' ' A' ' 63' ' ' ARG . . . -86.28 107.82 3.22 Favored Glycine 0 N--CA 1.443 -0.9 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.123 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.463 ' HB3' ' CE2' ' A' ' 90' ' ' TYR . 24.2 ptt180 -70.12 -27.18 64.36 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 122.496 -0.414 . . . . 0.0 111.241 176.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -63.89 -24.07 67.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.389 0.614 . . . . 0.0 109.965 177.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -70.45 -40.72 73.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.685 -178.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.4 mt -64.2 -29.05 70.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.528 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.416 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 23.4 mt-30 -73.66 -26.1 60.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.889 0.376 . . . . 0.0 110.951 178.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 66.6 mt -73.82 -36.55 46.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.534 0.683 . . . . 0.0 109.223 174.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.788 ' HB3' HD21 ' A' ' 81' ' ' LEU . 79.6 mt -75.42 -25.75 57.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.686 177.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.674 HD13 HD21 ' A' ' 91' ' ' LEU . 42.7 tp -54.44 -26.03 28.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.187 -178.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -66.03 -18.95 65.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.856 0.36 . . . . 0.0 111.127 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -99.82 111.52 23.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.938 176.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -84.46 2.06 42.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.306 -176.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.519 ' HB ' ' HB3' ' A' ' 80' ' ' ARG . 1.4 pp -90.27 74.54 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.569 0.699 . . . . 0.0 110.603 176.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -63.72 -30.76 71.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.254 -172.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -80.71 -35.99 32.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.884 0.373 . . . . 0.0 110.131 -179.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.519 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 73.2 ttt180 -69.43 -41.76 75.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.662 0.744 . . . . 0.0 109.592 176.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.788 HD21 ' HB3' ' A' ' 72' ' ' LEU . 21.2 tp -72.53 -19.79 61.46 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.311 177.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 68.53 27.13 6.28 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.624 -0.717 . . . . 0.0 112.773 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.786 HD13 ' HG ' ' A' ' 81' ' ' LEU . 1.4 mp -77.47 125.46 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.979 0.418 . . . . 0.0 109.934 175.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -66.84 164.8 42.52 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.661 -0.7 . . . . 0.0 113.77 -174.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 15.1 tp10 -62.61 -51.84 69.46 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 115.586 -0.307 . . . . 0.0 111.549 -179.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.538 ' HB2' HG13 ' A' ' 8' ' ' ILE . 16.7 Cg_endo -58.98 -24.36 72.81 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 121.937 1.758 . . . . 0.0 112.052 176.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.8 mm? -69.79 -36.48 75.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.764 177.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.78 -38.42 83.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.95 176.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.72 -41.69 93.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.895 176.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.606 ' HB2' HD11 ' A' ' 8' ' ' ILE . 33.4 t80 -62.92 -35.24 79.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.225 178.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.674 HD21 HD13 ' A' ' 73' ' ' LEU . 52.3 tp -73.06 -37.21 66.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.782 178.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -62.84 -63.73 1.12 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.623 0.249 . . . . 0.0 111.384 176.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -148.01 96.88 2.71 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.845 0.355 . . . . 0.0 110.079 -177.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . 0.449 ' HA ' HD11 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -83.3 133.01 34.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.236 0.541 . . . . 0.0 110.738 -178.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . 0.573 ' H ' HG13 ' A' ' 3' ' ' ILE . 16.4 t70 -86.33 -42.01 14.05 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.518 178.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . 0.498 HD22 HG12 ' A' ' 99' ' ' ILE . 3.3 mp -92.07 123.0 64.06 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.498 177.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.64 -37.46 28.72 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.302 2.001 . . . . 0.0 111.188 175.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -138.17 102.03 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.653 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . 0.498 HG12 HD22 ' A' ' 96' ' ' LEU . 59.3 mt -74.68 105.26 3.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 171.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.61 120.34 41.23 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.081 0.467 . . . . 0.0 110.751 -173.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.71 139.44 53.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.039 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . 0.543 ' HA ' ' O ' ' A' ' 60' ' ' ASP . 14.6 pt20 . . . . . 0 C--N 1.321 -0.636 0 CA-C-O 121.117 0.484 . . . . 0.0 111.06 -178.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 m . . . . . 0 N--CA 1.45 -0.455 0 N-CA-C 109.837 -0.431 . . . . 0.0 109.837 . . . . . . . . . 0 0 . 1 . 019 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.7 mm -69.18 137.1 24.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.5 p -91.09 -178.12 5.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.413 0.625 . . . . 0.0 112.372 -167.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -79.47 -169.87 2.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.314 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.5 m -50.49 -22.75 2.07 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.798 0.839 . . . . 0.0 112.046 -178.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -52.1 -28.52 17.96 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 123.089 0.556 . . . . 0.0 111.653 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.646 HD11 ' HB2' ' A' ' 90' ' ' TYR . 14.9 tt -58.49 -37.07 62.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 120.844 0.354 . . . . 0.0 111.125 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.1 t -75.47 -34.73 60.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.04 0.448 . . . . 0.0 110.78 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -74.41 -40.01 62.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.99 -176.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.04 -15.78 63.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.791 -177.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.69 -23.98 65.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.214 0.531 . . . . 0.0 110.392 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -90.68 -1.43 57.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.612 0.72 . . . . 0.0 110.271 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.12 5.03 51.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.272 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.442 ' HB3' HG23 ' A' ' 49' ' ' THR . 10.5 mp -83.07 139.63 33.12 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.3 153.6 38.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.953 0.406 . . . . 0.0 111.148 -176.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . 0.58 ' HA2' ' HB3' ' A' ' 32' ' ' PHE . . . 107.42 164.71 21.86 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.389 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -112.99 146.41 39.11 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.529 HG22 HG12 ' A' ' 30' ' ' VAL . 12.9 t -105.39 128.82 59.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 175.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.64 150.52 22.74 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.414 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -93.06 114.91 27.57 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -87.29 137.85 31.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.119 0.485 . . . . 0.0 110.386 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . 0.428 ' HE ' ' CG ' ' A' ' 40' ' ' ASP . 36.8 ptt180 -95.09 3.39 54.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.273 0.559 . . . . 0.0 109.569 177.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -67.09 -44.11 80.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.064 176.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . 0.534 HG23 ' HG2' ' A' ' 27' ' ' ARG . 9.5 t -131.41 -9.82 3.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.189 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.58 44.65 7.76 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.601 177.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . 0.534 ' HG2' HG23 ' A' ' 25' ' ' THR . 31.4 mmt180 -127.4 150.91 49.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.772 0.32 . . . . 0.0 110.429 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -89.88 105.24 17.67 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . 0.736 HD11 ' HZ ' ' A' ' 37' ' ' PHE . 2.7 pp -117.55 166.35 11.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.617 -169.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.529 HG12 HG22 ' A' ' 19' ' ' VAL . 33.7 m -116.29 141.31 34.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.156 176.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -168.0 132.88 1.79 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.58 ' HB3' ' HA2' ' A' ' 17' ' ' GLY . 22.2 p90 -94.52 39.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.308 0.575 . . . . 0.0 110.992 -177.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.7 t -143.05 109.15 5.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.61 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -67.75 -25.2 65.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.036 0.446 . . . . 0.0 110.964 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -70.89 -10.07 58.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.608 -177.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.7 p -62.59 -27.12 68.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.411 -178.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.736 ' HZ ' HD11 ' A' ' 29' ' ' ILE . 65.2 m-85 -108.58 -64.53 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 111.147 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.45 -110.81 3.33 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.645 -178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.94 -4.23 56.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.316 0.579 . . . . 0.0 109.91 178.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . 0.428 ' CG ' ' HE ' ' A' ' 23' ' ' ARG . 24.6 t70 -72.12 -43.86 64.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.573 -177.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.6 t -135.27 128.05 48.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.952 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.45 146.1 54.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.861 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -74.68 -8.34 56.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.695 -173.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.95 -20.36 52.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.221 0.534 . . . . 0.0 109.756 175.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.3 t -83.27 -18.06 40.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.388 176.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.3 mt -91.13 116.77 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.803 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.0 m -122.73 124.8 26.57 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.049 -175.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.53 131.93 38.7 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.715 2.277 . . . . 0.0 111.193 175.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.442 HG23 ' HB3' ' A' ' 15' ' ' LEU . 13.5 t -63.3 -25.37 68.28 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -173.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.3 p -73.1 -24.26 60.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.956 0.408 . . . . 0.0 110.941 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -96.27 -25.64 15.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.277 0.56 . . . . 0.0 109.837 176.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -60.36 -36.7 78.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.395 -177.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.528 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 27.5 m -70.0 -19.02 22.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.497 -178.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -98.24 116.49 30.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.03 0.443 . . . . 0.0 110.135 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.8 t -103.27 112.63 25.6 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.203 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.9 t -69.82 116.67 10.48 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 16.4 m -119.51 9.61 6.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.059 -177.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.474 ' HB3' HG12 ' A' ' 61' ' ' VAL . 3.8 ttt180 -163.88 -162.34 0.7 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.941 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -59.46 -63.2 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.843 -175.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -127.78 14.96 6.97 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.474 HG12 ' HB3' ' A' ' 58' ' ' ARG . 14.5 p -114.47 130.39 68.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.46 0.648 . . . . 0.0 111.525 -178.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 67.8 mtm -116.48 134.9 54.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.673 177.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.487 HH21 ' HG2' ' A' ' 98' ' ' GLU . 7.4 ptm180 -95.98 134.8 38.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.224 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -73.01 111.86 8.51 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 175.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -96.91 115.15 5.16 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.54 -0.838 . . . . 0.0 111.65 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . 0.498 ' HA ' HD13 ' A' ' 69' ' ' LEU . 9.0 ptm180 -69.27 -19.38 63.92 Favored 'General case' 0 C--N 1.317 -0.804 0 O-C-N 122.324 -0.515 . . . . 0.0 111.409 177.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.0 pm0 -61.04 -24.82 66.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.125 0.488 . . . . 0.0 110.699 176.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.528 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 8.6 mm-40 -70.49 -38.93 74.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.732 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 66' ' ' ARG . 7.6 mp -67.82 -28.95 68.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.414 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.674 HE21 ' HA ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -65.28 -33.16 75.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.207 177.179 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 66.6 mt -70.72 -43.23 77.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.07 0.462 . . . . 0.0 110.206 177.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.7 -33.41 75.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.375 0.607 . . . . 0.0 110.003 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 41.7 tp -66.58 -26.59 67.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.719 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 28.7 mm-40 -73.79 -34.56 64.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.369 175.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -65.93 -41.18 91.66 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 171.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 78.29 -12.67 1.05 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.901 168.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.462 HD11 HG21 ' A' ' 30' ' ' VAL . 1.7 pp -79.6 74.11 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.858 0.837 . . . . 0.0 111.496 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.504 ' HA ' HD13 ' A' ' 83' ' ' ILE . 26.5 t-20 -63.08 -38.07 89.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.767 -174.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -80.48 -28.97 37.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.659 0.266 . . . . 0.0 111.398 -176.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.407 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 19.3 tpt180 -73.59 -51.34 17.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.992 0.425 . . . . 0.0 110.607 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 81' ' ' LEU . 1.7 tm? -73.1 -29.46 62.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.335 178.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.5 t30 66.95 80.13 0.22 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.663 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.504 HD13 ' HA ' ' A' ' 78' ' ' ASN . 3.9 mp -94.56 127.78 46.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.302 176.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.558 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -58.72 148.58 38.52 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.858 -178.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.758 ' HG3' ' HD3' ' A' ' 86' ' ' PRO . 4.4 pt-20 -65.72 -39.37 31.28 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.758 ' HD3' ' HG3' ' A' ' 85' ' ' GLU . 34.9 Cg_endo -66.34 -15.4 47.98 Favored 'Trans proline' 0 C--N 1.361 1.213 0 C-N-CA 121.352 1.368 . . . . 0.0 111.815 174.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.6 mm? -77.16 -34.59 56.4 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 176.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 99.7 mt -67.5 -38.57 84.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.773 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 15.2 m -71.48 -33.35 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.109 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.646 ' HB2' HD11 ' A' ' 8' ' ' ILE . 49.6 t80 -65.76 -36.29 83.13 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 121.221 0.534 . . . . 0.0 110.404 177.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.401 HD12 ' HB3' ' A' ' 69' ' ' LEU . 10.0 tt -64.86 -23.25 67.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.166 177.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.587 ' HA ' ' NE ' ' A' ' 92' ' ' ARG . 3.0 mmp_? -88.54 -57.04 3.06 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.748 178.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -142.85 152.7 42.44 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -178.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -134.75 141.73 46.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.062 178.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -96.07 -21.3 18.05 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 175.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.9 mt -115.08 115.64 42.92 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.108 172.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.63 -44.22 41.53 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 123.009 2.472 . . . . 0.0 112.636 -177.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . 0.487 ' HG2' HH21 ' A' ' 63' ' ' ARG . 51.6 mt-10 -135.52 118.34 16.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.318 178.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 63.8 mt -88.91 104.88 15.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 174.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.5 p -101.77 133.64 46.18 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.539 -177.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.34 132.58 55.35 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.613 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 . . . . . 0 C--N 1.322 -0.597 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.087 -175.515 . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 p . . . . . 0 N--CA 1.451 -0.417 0 N-CA-C 110.112 -0.329 . . . . 0.0 110.112 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild core ' A' A ' 3' ' ' ILE . . . . . 0.77 HG13 HH11 ' A' ' 93' ' ' ARG . 48.0 mm -77.75 142.51 14.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.116 0.484 . . . . 0.0 110.378 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 41.0 p -91.82 179.8 5.52 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.887 -177.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 5' ' ' SER . . . . . 0.429 ' O ' HG22 ' A' ' 8' ' ' ILE . 15.6 m -77.98 -170.45 1.92 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.429 176.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.0 m -50.63 -22.06 1.86 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.303 0.641 . . . . 0.0 112.593 -176.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.39 -21.84 4.04 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 122.863 0.465 . . . . 0.0 111.455 176.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 8' ' ' ILE . . . . . 0.547 HD11 ' HB2' ' A' ' 90' ' ' TYR . 14.1 tt -58.37 -38.21 68.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 111.089 177.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 9' ' ' CYS . . . . . 0.477 ' SG ' ' HH2' ' A' ' 54' ' ' TRP . 51.7 t -73.94 -30.49 62.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.296 0.57 . . . . 0.0 110.206 -178.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -74.16 -34.09 63.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.749 -177.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.45 -20.81 66.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.734 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 12' ' ' ALA . . . . . 0.541 ' HB1' HG21 ' A' ' 53' ' ' VAL . . . -64.99 -26.35 68.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.358 . . . . 0.0 111.352 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -87.21 -18.34 30.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.071 0.462 . . . . 0.0 110.553 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.72 -5.55 43.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.532 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 15' ' ' LEU . . . . . 0.552 HD22 ' HA ' ' A' ' 83' ' ' ILE . 54.0 mt -65.48 156.35 32.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.179 178.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 16' ' ' LYS . . . . . 0.525 ' HG2' ' HB2' ' A' ' 82' ' ' ASN . 17.5 ptpt -140.31 147.37 39.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.85 0.357 . . . . 0.0 110.768 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.39 162.82 13.67 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.867 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 18' ' ' PHE . . . . . 0.484 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 81.2 m-85 -114.61 159.55 20.32 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.795 0.331 . . . . 0.0 110.337 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 19' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 15.2 t -119.44 131.66 71.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 173.15 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 20' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -142.0 149.63 21.34 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.973 -176.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 21' ' ' PHE . . . . . 0.435 ' HA ' ' HA ' ' A' ' 28' ' ' TYR . 53.2 t80 -90.92 106.44 18.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.872 0.367 . . . . 0.0 110.677 -177.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -79.15 106.92 11.53 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 174.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -75.21 -16.05 60.51 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -174.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -64.84 -52.03 58.88 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -89.02 -18.26 27.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.034 175.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.39 44.6 16.55 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.535 177.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.8 mtp85 -136.9 149.78 47.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.001 0.429 . . . . 0.0 111.036 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 28' ' ' TYR . . . . . 0.435 ' HA ' ' HA ' ' A' ' 21' ' ' PHE . 7.2 t80 -94.24 101.68 13.67 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 178.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 pp -126.82 -180.0 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -168.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 30' ' ' VAL . . . . . 0.544 HG22 ' HG3' ' A' ' 75' ' ' GLN . 34.5 m -83.16 141.5 14.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.31 0.576 . . . . 0.0 111.72 -176.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 31' ' ' ARG . . . . . 0.481 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 2.5 mmp_? -136.53 132.73 35.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.89 179.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 32' ' ' PHE . . . . . 0.53 ' CZ ' ' HG3' ' A' ' 80' ' ' ARG . 93.7 m-85 -111.75 26.75 10.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.855 0.836 . . . . 0.0 109.236 177.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.3 t -152.34 114.44 4.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.489 -1.232 . . . . 0.0 109.523 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -70.04 -29.48 66.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.451 0.643 . . . . 0.0 109.505 174.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -69.71 -12.71 61.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.713 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.1 t -61.1 -32.41 72.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.809 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 37' ' ' PHE . . . . . 0.623 ' HB2' HD11 ' A' ' 46' ' ' ILE . 56.2 m-85 -117.72 97.65 5.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.133 0.492 . . . . 0.0 110.526 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.53 14.39 7.7 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.675 177.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.8 ptp -149.87 135.59 18.49 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 69.17 -56.55 0.54 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.727 0.811 . . . . 0.0 112.414 178.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 41' ' ' VAL . . . . . 0.415 ' HB ' ' HB3' ' A' ' 37' ' ' PHE . 30.4 t -76.15 125.52 35.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.516 -176.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.82 148.63 40.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.546 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -68.54 -14.12 62.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.167 0.508 . . . . 0.0 110.622 -179.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -68.73 -23.17 64.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.295 174.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 45' ' ' SER . . . . . 0.439 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 35.2 t -80.83 -0.98 41.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.233 178.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 46' ' ' ILE . . . . . 0.623 HD11 ' HB2' ' A' ' 37' ' ' PHE . 60.5 mt -111.89 103.28 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.719 178.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 56.2 m -119.53 127.41 26.45 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.687 -178.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 48' ' ' PRO . . . . . 0.484 ' HA ' ' HA ' ' A' ' 18' ' ' PHE . 22.1 Cg_endo -62.19 135.73 56.18 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.614 2.209 . . . . 0.0 111.405 175.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 49' ' ' THR . . . . . 0.547 ' HA ' ' HB3' ' A' ' 52' ' ' PHE . 9.9 t -63.8 -18.94 64.61 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -174.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 m -64.57 -35.51 81.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.021 0.439 . . . . 0.0 110.659 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -99.47 -22.25 15.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.361 0.6 . . . . 0.0 110.174 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 52' ' ' PHE . . . . . 0.547 ' HB3' ' HA ' ' A' ' 49' ' ' THR . 68.8 t80 -63.6 -24.0 67.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.983 -175.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 53' ' ' VAL . . . . . 0.541 HG21 ' HB1' ' A' ' 12' ' ' ALA . 10.9 m -85.15 -2.19 7.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.73 0.3 . . . . 0.0 111.379 -177.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 54' ' ' TRP . . . . . 0.477 ' HH2' ' SG ' ' A' ' 9' ' ' CYS . 88.7 m95 -108.48 120.89 43.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.006 0.432 . . . . 0.0 110.764 -178.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.5 m -112.05 128.67 56.26 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.419 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 56' ' ' SER . . . . . 0.525 ' HA ' ' HG2' ' A' ' 62' ' ' MET . 19.8 m -70.54 115.73 10.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.036 -178.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 57' ' ' VAL . . . . . 0.546 HG21 ' HG3' ' A' ' 63' ' ' ARG . 33.5 m -113.31 -1.04 9.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.371 0.605 . . . . 0.0 110.025 176.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 58' ' ' ARG . . . . . 0.465 ' HB3' ' HB ' ' A' ' 61' ' ' VAL . 9.8 tpt180 -148.62 -161.9 1.44 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -178.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -67.3 -62.85 1.22 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.772 0.32 . . . . 0.0 110.765 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -112.92 -22.6 10.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.337 0.589 . . . . 0.0 109.842 176.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 61' ' ' VAL . . . . . 0.465 ' HB ' ' HB3' ' A' ' 58' ' ' ARG . 31.9 t -70.88 115.33 10.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.119 -177.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 62' ' ' MET . . . . . 0.525 ' HG2' ' HA ' ' A' ' 56' ' ' SER . 68.4 mtm -114.06 142.3 46.36 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.073 177.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 63' ' ' ARG . . . . . 0.546 ' HG3' HG21 ' A' ' 57' ' ' VAL . 26.8 mtm180 -101.83 161.89 13.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.812 0.339 . . . . 0.0 110.562 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.42 112.28 4.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.265 176.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.83 95.66 1.39 Allowed Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -65.79 -15.75 63.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.002 0.43 . . . . 0.0 111.134 -175.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.0 -23.02 66.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.142 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 68' ' ' GLN . . . . . 0.652 HE22 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -58.5 -31.82 68.23 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.876 -178.038 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 69' ' ' LEU . . . . . 0.573 HD12 ' HG3' ' A' ' 68' ' ' GLN . 6.3 mp -67.27 -33.57 75.58 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.937 0.398 . . . . 0.0 110.572 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 70' ' ' GLN . . . . . 0.581 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 16.3 mm100 -67.55 -31.05 70.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.386 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 63.6 mt -76.74 -40.68 32.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 176.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 72' ' ' LEU . . . . . 0.652 HD11 HE22 ' A' ' 68' ' ' GLN . 29.0 mt -63.48 -30.97 72.01 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -176.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 73' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.5 pp -58.64 -22.52 56.83 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 111.806 0.298 . . . . 0.0 111.806 -176.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -58.36 -39.13 78.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.766 0.317 . . . . 0.0 111.123 174.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 75' ' ' GLN . . . . . 0.544 ' HG3' HG22 ' A' ' 30' ' ' VAL . 14.8 mm100 -121.21 95.8 4.84 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 178.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -82.58 86.64 6.77 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -173.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 77' ' ' ILE . . . . . 0.484 ' HB ' ' CB ' ' A' ' 80' ' ' ARG . 1.1 pp -148.99 89.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.388 0.613 . . . . 0.0 111.181 177.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 78' ' ' ASN . . . . . 0.648 ' HA ' HD13 ' A' ' 83' ' ' ILE . 52.8 m-80 -72.6 -35.16 67.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.204 -175.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.69 -28.97 62.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.995 0.426 . . . . 0.0 110.215 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 80' ' ' ARG . . . . . 0.53 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 11.5 tpt180 -70.22 -52.91 19.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.779 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 81' ' ' LEU . . . . . 0.471 ' HB2' ' CD1' ' A' ' 83' ' ' ILE . 76.6 mt -83.74 -13.51 53.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.847 -178.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 82' ' ' ASN . . . . . 0.525 ' HB2' ' HG2' ' A' ' 16' ' ' LYS . 0.9 OUTLIER 65.45 48.02 2.15 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 -178.781 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 83' ' ' ILE . . . . . 0.648 HD13 ' HA ' ' A' ' 78' ' ' ASN . 4.0 mp -65.08 127.95 26.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 84' ' ' GLY . . . . . 0.567 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -62.88 145.91 50.12 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.871 -177.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 85' ' ' GLU . . . . . 0.53 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 44.0 mt-10 -62.13 -45.24 90.96 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 86' ' ' PRO . . . . . 0.557 ' HA ' HG22 ' A' ' 89' ' ' VAL . 52.6 Cg_exo -56.39 -20.9 34.62 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.207 1.938 . . . . 0.0 112.612 173.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 87' ' ' LEU . . . . . 0.567 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 2.7 mm? -76.04 -29.76 58.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.941 0.4 . . . . 0.0 110.079 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.7 mp -73.17 -43.23 61.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.686 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 89' ' ' VAL . . . . . 0.557 HG22 ' HA ' ' A' ' 86' ' ' PRO . 29.0 m -69.4 -31.98 51.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.734 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 90' ' ' TYR . . . . . 0.547 ' HB2' HD11 ' A' ' 8' ' ' ILE . 46.4 t80 -60.23 -28.06 67.71 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.003 0.43 . . . . 0.0 110.493 176.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 91' ' ' LEU . . . . . 0.449 HD13 HD22 ' A' ' 69' ' ' LEU . 62.9 tp -70.35 -30.73 67.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.682 178.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 92' ' ' ARG . . . . . 0.651 ' HE ' ' HA ' ' A' ' 92' ' ' ARG . 1.6 mmp_? -63.66 -55.49 23.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.144 0.497 . . . . 0.0 109.772 177.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 93' ' ' ARG . . . . . 0.77 HH11 HG13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -157.34 145.53 19.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.713 174.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild core ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -92.48 157.32 16.62 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.844 0.354 . . . . 0.0 111.001 -178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -96.76 -52.06 4.05 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.346 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.1 mp -134.45 146.54 59.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.153 175.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.68 -27.6 12.54 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.482 2.121 . . . . 0.0 111.213 173.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -91.95 47.79 1.38 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.023 -176.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.8 mm -71.6 104.06 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 170.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 100' ' ' THR . . . . . 0.42 ' CG2' ' HG2' ' A' ' 63' ' ' ARG . 3.0 p -126.04 138.27 53.71 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.387 -167.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild core ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -121.48 125.64 47.33 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.633 174.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild core ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 . . . . . 0 C--N 1.321 -0.635 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.706 . . . . . . . . 0 0 . 1 . 001 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 N--CA 1.483 1.189 0 CA-C-O 120.872 0.368 . . . . 0.0 110.924 . . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 23.2 m -95.03 166.6 11.85 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 109.905 -0.406 . . . . 0.0 109.905 177.368 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.54 HD13 ' HB ' ' A' ' 89' ' ' VAL . 39.4 mm -70.71 136.6 25.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 120.806 0.336 . . . . 0.0 110.242 -177.868 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.441 HG21 ' HG3' ' A' ' 86' ' ' PRO . 41.5 p -93.1 -179.99 5.26 Favored 'General case' 0 C--N 1.322 -0.614 0 CA-C-N 116.123 -0.49 . . . . 0.0 111.729 -175.7 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 18.2 m -81.56 -170.6 2.88 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.731 -0.668 . . . . 0.0 110.863 178.923 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 26.9 m -51.52 -23.73 4.41 Favored 'General case' 0 N--CA 1.469 0.497 0 C-N-CA 123.324 0.65 . . . . 0.0 112.307 -178.871 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 10.9 m-20 -52.39 -20.28 2.7 Favored 'General case' 0 N--CA 1.467 0.425 0 C-N-CA 122.607 0.363 . . . . 0.0 111.732 176.151 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.552 HD11 ' HB2' ' A' ' 90' ' ' TYR . 17.0 tt -53.24 -33.89 21.3 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.459 0 CA-C-N 116.424 -0.353 . . . . 0.0 111.1 175.762 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 41.2 t -65.78 -38.31 88.66 Favored 'General case' 0 C--N 1.333 -0.149 0 CA-C-O 121.161 0.505 . . . . 0.0 110.744 178.938 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.45 ' HA ' ' OE1' ' A' ' 10' ' ' GLN . 11.9 mm-40 -74.08 -33.41 63.64 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.996 -0.547 . . . . 0.0 110.9 -177.318 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.69 -15.73 53.89 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.777 -0.647 . . . . 0.0 111.802 -179.164 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -72.75 -15.77 61.66 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.996 0.427 . . . . 0.0 110.932 178.097 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -84.27 -19.8 33.24 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.477 178.669 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -65.87 -28.47 68.99 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.981 -0.554 . . . . 0.0 111.45 -177.12 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 8.5 mp -62.04 128.73 37.54 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.166 178.789 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 52.4 pttt -132.41 147.96 52.4 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.882 0.372 . . . . 0.0 111.21 -177.752 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.94 154.88 7.84 Favored Glycine 0 N--CA 1.447 -0.588 0 C-N-CA 120.95 -0.643 . . . . 0.0 112.245 177.943 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 63.6 m-85 -110.62 116.86 32.08 Favored 'General case' 0 C--N 1.324 -0.511 0 N-CA-C 109.303 -0.629 . . . . 0.0 109.303 179.997 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.477 ' HB ' HG22 ' A' ' 30' ' ' VAL . 8.4 p -97.69 133.34 39.97 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.803 0 CA-C-O 120.888 0.375 . . . . 0.0 110.474 -177.55 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.41 151.87 24.01 Favored Glycine 0 N--CA 1.449 -0.459 0 CA-C-N 115.9 -0.591 . . . . 0.0 112.044 -178.434 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 60.6 t80 -89.9 113.6 25.25 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-O 120.706 0.288 . . . . 0.0 110.322 -177.565 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 5.1 p30 -94.11 134.61 36.36 Favored 'General case' 0 C--N 1.324 -0.51 0 N-CA-C 109.868 -0.419 . . . . 0.0 109.868 -178.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.41 ' HD3' ' OD1' ' A' ' 40' ' ' ASP . 4.8 ptm180 -83.2 -4.98 58.95 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.401 -0.363 . . . . 0.0 111.341 -177.847 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 39.7 ttmt -75.23 -46.64 32.52 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-O 120.926 0.393 . . . . 0.0 110.649 -178.538 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 36.5 p -105.99 -12.47 15.79 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.249 -0.432 . . . . 0.0 110.846 177.051 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 69.63 47.54 48.63 Favored Glycine 0 N--CA 1.448 -0.531 0 C-N-CA 120.973 -0.632 . . . . 0.0 112.584 178.541 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.543 ' HG3' HG23 ' A' ' 29' ' ' ILE . 5.7 ptp180 -149.65 161.92 41.23 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.128 0.489 . . . . 0.0 111.476 178.281 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -86.25 106.15 17.13 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.403 -178.665 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.543 HG23 ' HG3' ' A' ' 27' ' ' ARG . 2.7 pp -117.86 155.45 19.7 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-O 120.781 0.324 . . . . 0.0 111.617 -173.403 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.561 HG11 HD21 ' A' ' 81' ' ' LEU . 52.1 t -104.9 129.06 58.1 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-O 120.946 0.403 . . . . 0.0 111.479 -177.81 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 60.9 mmt-85 -126.85 169.5 13.18 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.868 -0.606 . . . . 0.0 109.687 175.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 98.4 m-85 -114.18 0.52 14.26 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-O 121.175 0.512 . . . . 0.0 110.462 -179.854 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 67.8 m -121.21 112.03 18.13 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.411 177.585 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 45.9 mt-10 -69.73 -23.08 63.35 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.289 0.566 . . . . 0.0 110.327 179.067 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -80.82 -0.43 38.81 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.328 -0.851 . . . . 0.0 111.861 -176.022 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 76.2 p -78.59 -23.22 46.13 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-O 120.797 0.332 . . . . 0.0 111.417 -174.393 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 57.6 m-85 -107.05 130.48 54.66 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.354 -0.385 . . . . 0.0 111.22 -175.53 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -98.69 -109.68 2.93 Favored Glycine 0 N--CA 1.447 -0.601 0 C-N-CA 120.981 -0.628 . . . . 0.0 112.03 177.351 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 27.3 ptt? -95.43 -3.58 46.68 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-O 120.972 0.415 . . . . 0.0 110.774 -176.292 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.41 ' OD1' ' HD3' ' A' ' 23' ' ' ARG . 10.4 m-20 -80.07 -13.48 59.26 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.578 -178.128 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 97.1 t -134.59 131.63 54.14 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.585 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.231 -178.85 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.55 126.74 30.46 Favored 'General case' 0 C--N 1.327 -0.389 0 N-CA-C 109.605 -0.517 . . . . 0.0 109.605 175.771 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 25.9 t70 -66.0 -23.57 66.6 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 121.0 0.429 . . . . 0.0 111.084 -175.181 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 8.9 m-20 -68.52 -22.6 64.51 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 116.023 -0.535 . . . . 0.0 110.896 176.983 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 58.7 m -89.83 -3.97 57.84 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 116.363 -0.381 . . . . 0.0 111.075 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.3 mt -94.44 116.47 35.82 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 N-CA-C 109.371 -0.603 . . . . 0.0 109.371 176.126 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.403 ' O ' HG12 ' A' ' 19' ' ' VAL . 28.4 m -141.6 134.74 14.29 Favored Pre-proline 0 C--N 1.32 -0.714 0 CA-C-N 116.317 -0.401 . . . . 0.0 110.856 -176.049 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 35.8 Cg_exo -59.09 123.85 14.38 Favored 'Trans proline' 0 N--CA 1.461 -0.402 0 C-N-CA 122.432 2.088 . . . . 0.0 111.09 172.627 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.595 HG21 HD22 ' A' ' 81' ' ' LEU . 11.9 t -60.55 -18.15 50.53 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.428 -0.351 . . . . 0.0 111.504 -178.047 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 3.2 m -59.31 -40.35 85.98 Favored 'General case' 0 C--N 1.329 -0.291 0 CA-C-N 116.243 -0.435 . . . . 0.0 110.99 177.66 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 25.4 tt0 -107.11 -7.82 16.73 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-O 121.191 0.519 . . . . 0.0 110.448 -177.193 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 81.3 t80 -65.83 -31.44 72.4 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.826 -178.396 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.541 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 28.7 m -76.89 -11.37 13.72 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 115.916 -0.584 . . . . 0.0 111.746 -177.938 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 98.9 m95 -95.9 123.12 39.35 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 116.46 -0.336 . . . . 0.0 110.657 -179.431 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 36.3 m -111.11 107.75 17.21 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.124 178.129 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.491 ' HA ' ' HA ' ' A' ' 62' ' ' MET . 0.6 OUTLIER -73.28 117.66 15.29 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-O 121.244 0.545 . . . . 0.0 110.932 -179.93 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.566 HG11 ' HD3' ' A' ' 63' ' ' ARG . 29.3 m -99.84 -22.95 4.58 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 121.49 0.662 . . . . 0.0 110.178 178.736 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.589 ' HB2' ' HB ' ' A' ' 61' ' ' VAL . 3.9 mpt_? -122.63 -168.22 1.7 Allowed 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 107.73 -1.211 . . . . 0.0 107.73 169.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.5 m-20 -63.43 -62.84 1.41 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.745 0.307 . . . . 0.0 111.036 178.913 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.617 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 19.8 m-20 -106.5 7.53 30.95 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.444 -0.344 . . . . 0.0 111.521 -175.947 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.589 ' HB ' ' HB2' ' A' ' 58' ' ' ARG . 18.5 t -105.44 108.72 25.66 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 120.748 0.308 . . . . 0.0 110.526 -178.67 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.491 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 69.1 mtm -109.16 141.91 40.7 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.885 179.701 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.566 ' HD3' HG11 ' A' ' 57' ' ' VAL . 76.2 mtp180 -110.96 136.09 50.49 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.758 -0.655 . . . . 0.0 109.512 175.856 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.503 ' HB2' ' HB ' ' A' ' 99' ' ' ILE . 0.5 OUTLIER -76.76 113.99 15.02 Favored 'General case' 0 C--N 1.322 -0.622 0 N-CA-C 109.865 -0.42 . . . . 0.0 109.865 178.785 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.76 99.5 2.49 Favored Glycine 0 N--CA 1.445 -0.724 0 N-CA-C 110.721 -0.952 . . . . 0.0 110.721 175.452 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.508 ' HA ' HD13 ' A' ' 69' ' ' LEU . 26.4 ptt180 -68.78 -15.3 63.47 Favored 'General case' 0 C--N 1.322 -0.617 0 O-C-N 122.39 -0.476 . . . . 0.0 111.905 -175.235 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.5 pm0 -63.42 -23.11 67.26 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-O 120.664 0.269 . . . . 0.0 110.885 174.865 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.763 HE21 ' HA ' ' A' ' 68' ' ' GLN . 0.0 OUTLIER -60.35 -31.11 70.0 Favored 'General case' 0 C--N 1.331 -0.207 0 CA-C-O 121.074 0.464 . . . . 0.0 110.305 177.433 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.508 HD13 ' HA ' ' A' ' 66' ' ' ARG . 9.9 mp -62.31 -27.64 69.18 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 115.679 -0.691 . . . . 0.0 111.057 -179.555 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.46 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 23.1 mt-30 -66.38 -29.19 69.3 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.928 0.394 . . . . 0.0 110.641 178.468 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 63.8 mt -69.75 -32.89 53.85 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 CA-C-O 121.415 0.626 . . . . 0.0 109.541 176.235 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 44.8 mt -75.22 -31.37 60.84 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.551 -0.75 . . . . 0.0 109.532 175.594 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.46 ' HB3' ' O ' ' A' ' 70' ' ' GLN . 56.9 tp -60.73 -32.38 71.66 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 115.186 -0.915 . . . . 0.0 110.395 175.404 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.425 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 31.4 mm-40 -60.66 -35.68 76.83 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.318 175.285 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 31.0 mm-40 -77.46 -34.28 54.44 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.036 -0.529 . . . . 0.0 110.486 179.348 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 68.33 15.97 9.27 Favored 'General case' 0 N--CA 1.471 0.606 0 CA-C-O 121.32 0.581 . . . . 0.0 111.504 172.365 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.42 ' O ' HD12 ' A' ' 77' ' ' ILE . 1.3 pp -111.05 86.92 0.92 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.854 0.835 . . . . 0.0 111.423 179.508 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.589 ' HA ' HD13 ' A' ' 83' ' ' ILE . 18.8 m120 -71.76 -38.96 70.3 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.292 -0.867 . . . . 0.0 111.977 -173.78 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 41.8 mt-10 -79.72 -29.63 40.71 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 121.017 0.437 . . . . 0.0 110.636 -176.87 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.408 ' HB3' HD13 ' A' ' 77' ' ' ILE . 65.5 ttt180 -66.82 -47.62 71.47 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.917 -0.583 . . . . 0.0 110.334 -179.593 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.595 HD22 HG21 ' A' ' 49' ' ' THR . 51.4 mt -77.76 -20.16 53.89 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.102 177.041 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 62.5 t30 64.82 62.47 0.75 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 121.478 0.656 . . . . 0.0 110.491 -176.82 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.589 HD13 ' HA ' ' A' ' 78' ' ' ASN . 3.9 mp -80.13 118.49 27.84 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.341 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.644 175.367 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.526 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -62.33 155.82 39.31 Favored Glycine 0 N--CA 1.448 -0.564 0 CA-C-N 115.907 -0.588 . . . . 0.0 112.724 -179.319 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.426 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 45.0 mt-10 -63.52 -42.94 76.69 Favored Pre-proline 0 C--N 1.321 -0.668 0 N-CA-C 111.714 0.265 . . . . 0.0 111.714 178.422 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.441 ' HG3' HG21 ' A' ' 4' ' ' THR . 76.2 Cg_exo -52.74 -28.21 37.12 Favored 'Trans proline' 0 C--N 1.357 0.978 0 C-N-CA 122.089 1.859 . . . . 0.0 112.255 170.733 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.526 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 0.9 OUTLIER -77.35 -37.9 51.33 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 116.059 -0.519 . . . . 0.0 110.118 179.149 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 94.1 mt -62.56 -41.75 99.11 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.728 178.334 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.54 ' HB ' HD13 ' A' ' 3' ' ' ILE . 30.6 m -74.86 -32.61 28.3 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 CA-C-N 116.255 -0.429 . . . . 0.0 110.784 179.241 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.552 ' HB2' HD11 ' A' ' 8' ' ' ILE . 9.3 t80 -62.99 -25.78 68.54 Favored 'General case' 0 C--O 1.236 0.345 0 CA-C-O 121.222 0.534 . . . . 0.0 111.056 -179.761 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.437 HD23 ' O ' ' A' ' 91' ' ' LEU . 8.0 tt -64.55 -25.34 67.94 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.569 176.819 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 22.9 mtm180 -100.58 -70.38 0.74 Allowed 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 115.91 -0.587 . . . . 0.0 110.278 -178.971 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.521 ' O ' ' HA ' ' A' ' 90' ' ' TYR . 46.1 mtp180 -125.42 -175.1 3.23 Favored 'General case' 0 C--N 1.328 -0.352 0 N-CA-C 109.99 -0.374 . . . . 0.0 109.99 179.219 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.798 ' HG3' ' HA ' ' A' ' 97' ' ' PRO . 1.0 OUTLIER -153.21 158.37 41.62 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-O 121.4 0.619 . . . . 0.0 112.533 -174.431 . . . . . . . . 3 3 . 1 . 001 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -89.94 -58.36 2.54 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 107.833 -1.173 . . . . 0.0 107.833 169.333 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.4 mm? -86.48 120.79 72.27 Favored Pre-proline 0 C--N 1.326 -0.418 0 N-CA-C 108.316 -0.994 . . . . 0.0 108.316 167.168 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.798 ' HA ' ' HG3' ' A' ' 94' ' ' GLN . 74.9 Cg_exo -48.21 -56.63 2.94 Favored 'Trans proline' 0 C--N 1.348 0.547 0 C-N-CA 122.883 2.389 . . . . 0.0 111.563 -177.624 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 67.2 mt-10 -127.7 124.7 38.49 Favored 'General case' 0 N--CA 1.444 -0.729 0 CA-C-N 115.052 -0.976 . . . . 0.0 108.379 172.465 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.503 ' HB ' ' HB2' ' A' ' 64' ' ' LEU . 65.7 mt -71.93 110.46 5.0 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.682 0 N-CA-C 109.432 -0.581 . . . . 0.0 109.432 -178.923 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.0 OUTLIER -111.12 129.84 55.81 Favored 'General case' 0 C--N 1.318 -0.791 0 CA-C-N 115.557 -0.747 . . . . 0.0 111.012 -175.335 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -124.49 120.81 33.07 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-N 115.734 -0.666 . . . . 0.0 110.21 179.01 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.617 ' HA ' ' O ' ' A' ' 60' ' ' ASP . 12.1 pt20 -142.45 141.46 32.19 Favored 'General case' 0 C--N 1.322 -0.603 0 CA-C-N 116.298 -0.41 . . . . 0.0 110.191 177.25 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 45.7 ptt85 -130.42 129.14 42.65 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.369 -179.984 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -127.56 154.84 44.7 Favored 'General case' 0 C--N 1.319 -0.726 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.784 -179.968 . . . . . . . . 2 2 . 1 . 001 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 25.6 tp -128.51 21.36 6.07 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-O 121.657 0.742 . . . . 0.0 110.034 -177.271 . . . . . . . . 1 1 . 1 . 001 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 79.5 mtp180 . . . . . 0 C--O 1.25 1.127 0 CA-C-O 118.246 -0.883 . . . . 0.0 109.993 178.354 . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 3.4 ppp? . . . . . 0 N--CA 1.48 1.056 0 N-CA-C 111.564 0.209 . . . . 0.0 111.564 . . . . . . . . . 0 0 . 1 . 002 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 18.8 m -68.93 165.12 20.67 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 120.698 0.285 . . . . 0.0 110.235 178.39 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.415 HG21 ' CB ' ' A' ' 95' ' ' ASP . 33.3 mm -88.05 146.75 5.86 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.594 0 N-CA-C 109.309 -0.626 . . . . 0.0 109.309 177.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 33.3 p -91.46 -178.25 5.05 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-O 121.168 0.509 . . . . 0.0 111.772 -172.641 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.428 ' O ' HG22 ' A' ' 8' ' ' ILE . 31.7 t -80.62 -169.55 2.2 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.319 -0.855 . . . . 0.0 109.541 178.345 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 12.7 m -50.18 -21.19 1.23 Allowed 'General case' 0 CA--C 1.534 0.342 0 C-N-CA 123.538 0.735 . . . . 0.0 111.692 178.798 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.5 m-20 -51.36 -24.18 4.48 Favored 'General case' 0 N--CA 1.463 0.207 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.174 175.806 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.619 HD11 ' HB2' ' A' ' 90' ' ' TYR . 16.3 tt -59.96 -39.45 80.21 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.356 0 CA-C-O 120.878 0.371 . . . . 0.0 110.81 177.298 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 48.8 t -74.83 -28.63 60.77 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.275 0.559 . . . . 0.0 110.035 178.846 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.5 mm-40 -73.95 -36.25 64.61 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.56 -0.746 . . . . 0.0 110.177 179.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.75 -15.63 63.17 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.819 -0.628 . . . . 0.0 111.876 -177.354 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.6 -16.55 64.23 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-O 121.008 0.432 . . . . 0.0 110.822 177.263 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -79.39 -18.5 52.21 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.165 0.507 . . . . 0.0 110.563 177.356 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -71.46 -21.59 61.94 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.077 -0.51 . . . . 0.0 111.25 -178.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.556 ' HB3' HG23 ' A' ' 49' ' ' THR . 9.3 mp -64.15 116.87 6.37 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.422 -0.354 . . . . 0.0 110.31 179.55 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.9 pttt -124.7 145.1 49.86 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-N 116.329 -0.396 . . . . 0.0 110.861 -176.865 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 129.86 158.88 9.59 Favored Glycine 0 N--CA 1.446 -0.659 0 C-N-CA 120.933 -0.651 . . . . 0.0 111.865 -179.029 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 68.4 m-85 -111.49 117.64 33.57 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 121.058 0.456 . . . . 0.0 110.152 -179.121 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.54 HG12 ' CD1' ' A' ' 28' ' ' TYR . 8.7 t -95.53 135.62 29.07 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 CA-C-N 115.61 -0.723 . . . . 0.0 109.961 -177.133 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.53 148.8 20.77 Favored Glycine 0 N--CA 1.446 -0.686 0 C-N-CA 120.795 -0.717 . . . . 0.0 111.469 178.541 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 86.2 t80 -85.73 125.05 32.92 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.83 -0.433 . . . . 0.0 109.83 178.893 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.463 ' OD1' ' HG2' ' A' ' 24' ' ' LYS . 41.3 t30 -107.12 113.75 27.38 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-N 116.157 -0.474 . . . . 0.0 110.182 -179.455 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 2.3 ptp180 -58.1 -35.84 72.03 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 115.591 -0.731 . . . . 0.0 112.714 -175.673 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.463 ' HG2' ' OD1' ' A' ' 22' ' ' ASN . 21.0 ptmt -77.38 -16.36 58.9 Favored 'General case' 0 C--N 1.326 -0.44 0 C-N-CA 120.631 -0.428 . . . . 0.0 111.929 -173.927 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 28.5 p -103.24 -26.43 12.98 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.981 0.419 . . . . 0.0 110.689 175.533 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.46 21.31 72.93 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.872 -0.604 . . . . 0.0 111.789 179.437 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 82.0 mtt-85 -140.67 167.72 21.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.02 0.438 . . . . 0.0 110.976 -177.06 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.54 ' CD1' HG12 ' A' ' 19' ' ' VAL . 0.6 OUTLIER -83.89 125.36 31.92 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.377 -0.829 . . . . 0.0 109.61 172.139 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 pp -117.84 153.66 19.79 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.664 0 N-CA-C 110.123 -0.325 . . . . 0.0 110.123 178.954 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.604 HG11 HD11 ' A' ' 81' ' ' LEU . 10.5 t -118.74 132.33 68.91 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.659 0 CA-C-O 120.762 0.315 . . . . 0.0 110.368 -178.267 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 85.0 mtt180 -124.21 156.65 36.41 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.253 -0.43 . . . . 0.0 109.992 178.019 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 40.6 t80 -82.07 -34.17 29.52 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.155 0.502 . . . . 0.0 109.955 -177.139 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 45.0 t -107.9 124.01 49.47 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.301 177.753 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.8 pt-20 -69.97 -16.57 63.21 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.969 -0.559 . . . . 0.0 110.325 177.328 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 13.9 t70 -77.21 -7.42 55.85 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.472 -0.786 . . . . 0.0 110.815 -179.072 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 70.3 m -87.35 -8.56 56.51 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.154 -0.475 . . . . 0.0 111.814 -175.614 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -80.76 128.87 34.14 Favored 'General case' 0 C--N 1.322 -0.603 0 N-CA-C 109.998 -0.371 . . . . 0.0 109.998 179.686 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -92.36 -175.25 41.95 Favored Glycine 0 N--CA 1.445 -0.701 0 C-N-CA 120.656 -0.783 . . . . 0.0 112.645 -177.144 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.7 ttt -69.87 -13.23 62.16 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 121.327 0.584 . . . . 0.0 110.522 -178.323 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 22.8 t0 -80.67 -7.98 59.49 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-N 115.719 -0.673 . . . . 0.0 110.108 179.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 48.0 t -112.55 139.14 38.94 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-N 115.69 -0.686 . . . . 0.0 109.415 176.834 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -72.65 137.19 45.91 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-O 120.695 0.283 . . . . 0.0 110.963 -179.044 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -62.57 -44.68 95.71 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.335 -0.393 . . . . 0.0 111.341 -178.022 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.9 m-20 -70.37 -8.19 48.7 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.708 -179.347 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 10.1 t -78.7 -30.58 46.1 Favored 'General case' 0 C--N 1.325 -0.496 0 N-CA-C 109.477 -0.564 . . . . 0.0 109.477 177.629 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 47.3 mt -66.14 108.27 0.95 Allowed 'Isoleucine or valine' 0 C--O 1.233 0.186 0 CA-C-N 116.063 -0.517 . . . . 0.0 110.08 179.652 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 18.5 m -135.2 124.64 16.44 Favored Pre-proline 0 C--N 1.32 -0.701 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.347 -177.958 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.2 Cg_exo -53.39 132.46 48.59 Favored 'Trans proline' 0 C--N 1.343 0.271 0 C-N-CA 122.429 2.086 . . . . 0.0 111.141 174.65 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.556 HG23 ' HB3' ' A' ' 15' ' ' LEU . 8.8 t -63.82 -17.34 63.02 Favored 'General case' 0 C--N 1.329 -0.305 0 N-CA-C 111.875 0.324 . . . . 0.0 111.875 -174.578 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.437 ' O ' HG22 ' A' ' 53' ' ' VAL . 9.5 p -71.49 -50.86 27.41 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.992 0.425 . . . . 0.0 110.217 175.106 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 34.5 tt0 -72.71 -23.02 60.8 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.64 -179.145 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.2 t80 -56.49 -37.59 70.59 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.713 -0.676 . . . . 0.0 111.675 -177.684 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.437 HG22 ' O ' ' A' ' 50' ' ' SER . 22.6 m -80.89 -18.66 11.86 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 120.714 0.292 . . . . 0.0 111.622 -175.859 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 99.1 m95 -79.27 120.22 23.44 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.99 0.424 . . . . 0.0 110.33 -179.647 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.51 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . 2.6 m -110.34 104.04 12.77 Favored 'General case' 0 C--N 1.318 -0.78 0 CA-C-N 115.939 -0.573 . . . . 0.0 109.921 -178.582 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.0 m -76.04 115.14 15.45 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-N 116.204 -0.453 . . . . 0.0 110.735 -177.593 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.0 m -108.06 2.26 9.75 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.526 0 CA-C-O 121.144 0.497 . . . . 0.0 110.446 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.485 ' HG3' ' H ' ' A' ' 59' ' ' ASP . 13.9 tpp180 -160.75 -174.5 4.46 Favored 'General case' 0 C--N 1.325 -0.493 0 N-CA-C 108.551 -0.907 . . . . 0.0 108.551 179.035 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.485 ' H ' ' HG3' ' A' ' 58' ' ' ARG . 2.5 m-20 -49.45 -62.87 1.31 Allowed 'General case' 0 N--CA 1.465 0.306 0 C-N-CA 123.082 0.553 . . . . 0.0 111.426 -179.49 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 10.7 m-20 -114.73 -17.0 11.72 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.982 -179.477 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.479 ' HB ' ' HB3' ' A' ' 58' ' ' ARG . 48.4 t -71.97 108.5 3.51 Favored 'Isoleucine or valine' 0 C--O 1.236 0.352 0 CA-C-O 121.137 0.494 . . . . 0.0 110.775 -178.375 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 67.8 mtm -116.98 145.06 43.89 Favored 'General case' 0 C--N 1.322 -0.613 0 CA-C-N 115.731 -0.668 . . . . 0.0 109.967 177.043 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.51 ' HG3' ' HB2' ' A' ' 55' ' ' SER . 5.4 ptp180 -113.47 144.49 42.73 Favored 'General case' 0 C--N 1.323 -0.546 0 N-CA-C 110.059 -0.349 . . . . 0.0 110.059 175.678 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.571 ' HB2' ' HB ' ' A' ' 99' ' ' ILE . 0.6 OUTLIER -73.84 110.59 8.25 Favored 'General case' 0 C--N 1.322 -0.608 0 N-CA-C 108.835 -0.802 . . . . 0.0 108.835 174.622 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -83.89 105.68 2.78 Favored Glycine 0 N--CA 1.443 -0.879 0 C-N-CA 120.782 -0.723 . . . . 0.0 112.107 -177.107 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.433 ' H ' ' CD ' ' A' ' 66' ' ' ARG . 0.0 OUTLIER -69.77 -25.49 63.84 Favored 'General case' 0 C--N 1.32 -0.683 0 O-C-N 122.594 -0.356 . . . . 0.0 111.115 177.029 . . . . . . . . 3 3 . 1 . 002 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.9 pm0 -66.41 -22.89 66.24 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.308 0.575 . . . . 0.0 110.37 177.414 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 10.1 mm-40 -71.09 -33.92 70.64 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.32 -0.854 . . . . 0.0 109.74 178.909 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 91.7 mt -64.57 -27.8 69.2 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.247 -0.888 . . . . 0.0 110.809 -179.33 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.486 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 15.4 mm100 -56.91 -34.87 68.37 Favored 'General case' 0 C--N 1.331 -0.2 0 CA-C-N 115.975 -0.557 . . . . 0.0 110.785 178.313 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 55.7 mt -75.07 -35.99 36.59 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.397 0 CA-C-O 121.316 0.579 . . . . 0.0 110.594 178.717 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 87.2 mt -75.19 -30.1 60.56 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.821 -0.627 . . . . 0.0 111.86 -175.878 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.486 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.5 pp -66.79 -25.28 66.39 Favored 'General case' 0 C--N 1.33 -0.264 0 C-N-CA 120.973 -0.291 . . . . 0.0 111.105 -177.915 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 29.4 mt-10 -71.76 -3.22 20.75 Favored 'General case' 0 C--N 1.333 -0.148 0 CA-C-N 116.701 -0.227 . . . . 0.0 111.609 -179.982 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.401 ' C ' ' H ' ' A' ' 77' ' ' ILE . 69.4 mm-40 -84.11 -26.89 28.58 Favored 'General case' 0 N--CA 1.453 -0.29 0 N-CA-C 109.154 -0.684 . . . . 0.0 109.154 172.726 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 22.8 t-20 71.96 -34.15 0.29 Allowed 'General case' 0 N--CA 1.472 0.657 0 C-N-CA 124.181 0.992 . . . . 0.0 112.285 176.117 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.463 ' HB ' ' HB3' ' A' ' 80' ' ' ARG . 6.7 pt -80.5 46.48 0.05 OUTLIER 'Isoleucine or valine' 0 C--N 1.321 -0.657 0 C-N-CA 122.881 0.472 . . . . 0.0 111.734 -179.44 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 15.1 m120 -51.66 -39.72 58.69 Favored 'General case' 0 C--N 1.326 -0.442 0 N-CA-C 111.902 0.334 . . . . 0.0 111.902 -178.114 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.4 mt-10 -66.63 -44.64 81.46 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 116.426 -0.352 . . . . 0.0 111.086 178.481 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.463 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 29.9 ttt180 -68.52 -40.66 80.71 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.458 0.646 . . . . 0.0 110.527 -177.15 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.604 HD11 HG11 ' A' ' 30' ' ' VAL . 20.7 tp -72.03 -8.41 54.37 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-N 115.013 -0.994 . . . . 0.0 110.573 179.121 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 4.2 t30 69.68 39.45 1.51 Allowed 'General case' 0 N--CA 1.464 0.25 0 CA-C-N 115.397 -0.82 . . . . 0.0 111.419 172.57 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.7 mp -76.42 129.53 37.11 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.413 0 N-CA-C 109.163 -0.68 . . . . 0.0 109.163 172.464 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.621 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -58.83 143.24 45.42 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.168 -0.539 . . . . 0.0 112.876 -177.396 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.554 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 39.8 mt-10 -60.22 -46.07 97.76 Favored Pre-proline 0 C--N 1.321 -0.633 0 N-CA-C 111.937 0.347 . . . . 0.0 111.937 -179.281 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.554 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 50.5 Cg_exo -57.28 -17.64 27.09 Favored 'Trans proline' 0 C--N 1.357 1.015 0 C-N-CA 122.181 1.921 . . . . 0.0 112.64 174.475 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.621 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.5 mm? -76.54 -30.5 57.13 Favored 'General case' 0 C--N 1.324 -0.5 0 N-CA-C 109.747 -0.464 . . . . 0.0 109.747 178.539 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.476 ' O ' ' HG3' ' A' ' 92' ' ' ARG . 9.0 mp -70.69 -45.03 65.76 Favored 'General case' 0 C--N 1.331 -0.238 0 CA-C-N 115.993 -0.548 . . . . 0.0 110.367 176.858 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.538 HG22 ' HA ' ' A' ' 86' ' ' PRO . 23.1 m -66.44 -32.98 60.51 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.257 0 CA-C-N 116.477 -0.329 . . . . 0.0 110.558 -179.295 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.619 ' HB2' HD11 ' A' ' 8' ' ' ILE . 59.4 t80 -57.66 -40.62 79.74 Favored 'General case' 0 N--CA 1.463 0.219 0 CA-C-O 121.02 0.438 . . . . 0.0 110.553 175.577 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.0 tt -69.61 -41.33 75.83 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.727 178.732 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.476 ' HG3' ' O ' ' A' ' 88' ' ' LEU . 80.0 mtp180 -67.91 -44.34 77.14 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.906 -178.95 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.409 ' HB3' HD11 ' A' ' 3' ' ' ILE . 43.1 ttt180 -149.6 113.59 5.13 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.18 -0.464 . . . . 0.0 110.157 -179.968 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.2 pt20 -88.43 96.8 10.74 Favored 'General case' 0 C--N 1.32 -0.707 0 CA-C-O 121.451 0.643 . . . . 0.0 110.682 -179.73 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.415 ' CB ' HG21 ' A' ' 3' ' ' ILE . 24.3 t70 -54.51 -49.16 70.86 Favored 'General case' 0 N--CA 1.466 0.33 0 CA-C-N 115.376 -0.829 . . . . 0.0 109.349 174.547 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 97.3 mt -102.1 122.16 47.95 Favored Pre-proline 0 C--N 1.318 -0.791 0 N-CA-C 108.011 -1.107 . . . . 0.0 108.011 168.63 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 77.4 Cg_exo -50.5 -38.69 54.57 Favored 'Trans proline' 0 C--N 1.343 0.28 0 C-N-CA 122.602 2.201 . . . . 0.0 111.916 -178.984 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.1 pt-20 -150.15 120.01 7.11 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.203 -0.908 . . . . 0.0 109.631 176.511 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.571 ' HB ' ' HB2' ' A' ' 64' ' ' LEU . 73.4 mt -73.28 106.74 3.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.548 0 N-CA-C 109.754 -0.461 . . . . 0.0 109.754 176.14 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 4.9 p -101.61 133.6 46.04 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 116.121 -0.491 . . . . 0.0 111.241 -178.443 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.91 130.98 40.35 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-N 115.609 -0.723 . . . . 0.0 110.731 179.788 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 0.0 OUTLIER -145.89 150.47 36.18 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.896 -0.593 . . . . 0.0 109.429 173.906 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 37.3 mtp180 -108.8 139.39 43.68 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-O 120.865 0.364 . . . . 0.0 110.148 -179.242 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.415 ' O ' ' HG3' ' A' ' 104' ' ' GLN . 3.8 pt20 -65.71 105.55 1.28 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.403 0.62 . . . . 0.0 111.92 -176.293 . . . . . . . . 2 2 . 1 . 002 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 38.6 tp -89.76 -15.77 31.72 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 108.213 -1.032 . . . . 0.0 108.213 171.089 . . . . . . . . 1 1 . 1 . 002 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.587 ' HD3' ' C ' ' A' ' 106' ' ' ARG . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-N 114.537 -1.211 . . . . 0.0 108.576 176.896 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 4.4 mpp? . . . . . 0 N--CA 1.482 1.167 0 CA-C-O 120.657 0.265 . . . . 0.0 111.038 . . . . . . . . . 0 0 . 1 . 003 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 2.1 p -80.41 157.6 26.21 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 116.413 -0.358 . . . . 0.0 110.715 178.066 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.404 HD13 ' HB ' ' A' ' 89' ' ' VAL . 39.2 mm -68.92 134.86 29.5 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.467 0 CA-C-O 121.16 0.505 . . . . 0.0 110.932 -177.717 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 54.4 p -92.96 178.02 5.89 Favored 'General case' 0 C--N 1.321 -0.667 0 CA-C-N 115.572 -0.74 . . . . 0.0 111.125 -178.063 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.2 m -82.53 -169.64 2.55 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-N 115.874 -0.603 . . . . 0.0 110.488 178.846 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 31.8 m -50.68 -22.49 2.09 Favored 'General case' 0 CA--C 1.539 0.523 0 C-N-CA 123.256 0.623 . . . . 0.0 112.22 -178.698 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.7 m-20 -52.39 -22.11 4.31 Favored 'General case' 0 N--CA 1.464 0.228 0 C-N-CA 122.834 0.454 . . . . 0.0 111.514 177.01 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . . . . . . . . . 14.6 tt -55.05 -41.06 57.05 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.341 0 C-N-CA 122.514 0.326 . . . . 0.0 111.534 179.053 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.448 ' HB3' ' HH2' ' A' ' 54' ' ' TRP . 58.7 m -70.41 -35.01 73.18 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 121.247 0.546 . . . . 0.0 110.329 -179.736 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 72.9 mm-40 -74.58 -32.99 62.56 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-N 115.477 -0.783 . . . . 0.0 110.765 -179.433 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.81 -25.86 68.37 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 116.202 -0.454 . . . . 0.0 111.032 178.213 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.503 ' HB2' HD11 ' A' ' 87' ' ' LEU . . . -69.11 -18.75 64.01 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.179 0.514 . . . . 0.0 110.725 176.631 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 14.5 t70 -85.28 -5.11 59.34 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.467 0.651 . . . . 0.0 110.034 179.373 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.08 -2.86 56.4 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.727 -0.669 . . . . 0.0 110.61 178.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.461 ' HB3' HG23 ' A' ' 49' ' ' THR . 85.2 mt -68.39 141.04 55.83 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 115.851 -0.613 . . . . 0.0 109.674 177.046 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.4 ptpt -125.75 145.13 50.33 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 116.622 -0.263 . . . . 0.0 110.56 -176.809 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 110.66 161.17 17.73 Favored Glycine 0 N--CA 1.445 -0.71 0 C-N-CA 120.798 -0.715 . . . . 0.0 112.457 179.251 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.41 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 92.4 m-85 -111.66 157.2 20.73 Favored 'General case' 0 C--N 1.321 -0.669 0 N-CA-C 109.54 -0.541 . . . . 0.0 109.54 178.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 4.6 t -120.67 134.39 64.27 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 109.53 -0.544 . . . . 0.0 109.53 176.427 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.13 152.6 24.66 Favored Glycine 0 N--CA 1.448 -0.52 0 C-N-CA 120.909 -0.662 . . . . 0.0 111.957 -178.376 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 54.3 t80 -85.89 120.57 27.44 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-O 121.055 0.455 . . . . 0.0 110.509 -178.622 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.564 HD22 ' HE1' ' A' ' 37' ' ' PHE . 28.1 t-20 -109.56 128.3 55.1 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.843 177.863 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.447 HH11 ' HD2' ' A' ' 23' ' ' ARG . 7.2 ptp180 -69.84 -24.24 63.42 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 112.085 0.402 . . . . 0.0 112.085 -174.306 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 22.6 ttmm -78.27 -38.32 42.91 Favored 'General case' 0 C--N 1.326 -0.446 0 CA-C-O 120.917 0.389 . . . . 0.0 110.281 -177.298 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 52.5 p -81.56 -26.37 35.06 Favored 'General case' 0 C--N 1.323 -0.569 0 CA-C-O 121.13 0.491 . . . . 0.0 110.048 175.919 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . 0.441 ' O ' ' HD2' ' A' ' 27' ' ' ARG . . . 75.09 9.84 84.06 Favored Glycine 0 N--CA 1.449 -0.493 0 CA-C-N 115.72 -0.673 . . . . 0.0 112.247 178.04 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.457 HH11 ' HD2' ' A' ' 27' ' ' ARG . 14.1 mmm180 -129.74 160.04 34.63 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 121.017 0.437 . . . . 0.0 110.768 -176.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 9.2 t80 -79.0 101.66 7.91 Favored 'General case' 0 C--N 1.325 -0.482 0 N-CA-C 107.795 -1.187 . . . . 0.0 107.795 171.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.57 HG22 HE22 ' A' ' 75' ' ' GLN . 2.8 pp -116.66 159.14 16.83 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.409 0 CA-C-O 121.099 0.476 . . . . 0.0 112.106 -167.584 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.486 HG13 ' HG3' ' A' ' 75' ' ' GLN . 34.3 m -83.27 148.55 5.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-N 115.779 -0.646 . . . . 0.0 110.947 -179.187 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 7.8 tpt180 -147.02 132.82 18.97 Favored 'General case' 0 C--N 1.319 -0.737 0 N-CA-C 109.03 -0.73 . . . . 0.0 109.03 -179.529 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 97.3 m-85 -103.29 16.04 27.58 Favored 'General case' 0 C--N 1.32 -0.7 0 CA-C-O 121.138 0.495 . . . . 0.0 110.337 -177.658 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.467 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 12.2 m -134.03 115.28 14.14 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.142 -179.278 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.51 ' H ' ' CD ' ' A' ' 34' ' ' GLU . 2.3 mp0 -66.33 -38.34 87.45 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-O 121.269 0.557 . . . . 0.0 110.06 179.167 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 26.6 t70 -71.62 -1.07 12.35 Favored 'General case' 0 CA--C 1.532 0.251 0 CA-C-N 115.525 -0.761 . . . . 0.0 111.288 -177.786 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.467 ' HB2' ' HB2' ' A' ' 33' ' ' SER . 23.2 t -70.54 -23.86 62.7 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.308 179.205 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.564 ' HE1' HD22 ' A' ' 22' ' ' ASN . 83.7 m-85 -134.3 100.43 4.68 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.138 -0.483 . . . . 0.0 110.641 -179.804 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.32 -111.58 3.61 Favored Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.867 -0.682 . . . . 0.0 111.955 178.704 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 69.6 mtm -80.6 74.92 7.5 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-O 121.0 0.428 . . . . 0.0 110.284 179.025 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 29.6 t70 -172.3 -41.55 0.02 OUTLIER 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.608 -0.724 . . . . 0.0 109.671 -176.416 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' A' ' 37' ' ' PHE . 58.5 t -128.63 136.65 59.38 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.665 -0.698 . . . . 0.0 109.573 177.23 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.33 132.65 46.75 Favored 'General case' 0 C--N 1.326 -0.447 0 CA-C-O 121.073 0.463 . . . . 0.0 111.58 -177.85 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -67.69 -19.81 65.21 Favored 'General case' 0 C--N 1.325 -0.458 0 CA-C-N 115.624 -0.716 . . . . 0.0 110.149 176.966 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.6 m-20 -68.44 -25.92 65.25 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.632 175.299 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 34.4 t -80.06 -37.06 34.67 Favored 'General case' 0 C--N 1.329 -0.315 0 N-CA-C 109.713 -0.477 . . . . 0.0 109.713 178.352 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.466 HD11 ' HB2' ' A' ' 37' ' ' PHE . 60.7 mt -66.0 115.72 4.4 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.275 0 CA-C-N 115.777 -0.647 . . . . 0.0 109.82 177.642 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 16.0 m -123.18 127.89 25.48 Favored Pre-proline 0 C--N 1.321 -0.658 0 CA-C-N 116.608 -0.269 . . . . 0.0 110.97 -176.814 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.41 ' HA ' ' HA ' ' A' ' 18' ' ' PHE . 19.2 Cg_endo -59.44 132.55 46.82 Favored 'Trans proline' 0 C--N 1.344 0.327 0 C-N-CA 122.547 2.165 . . . . 0.0 111.381 175.476 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.461 HG23 ' HB3' ' A' ' 15' ' ' LEU . 8.8 t -65.11 -19.36 65.95 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 112.002 0.371 . . . . 0.0 112.002 -173.971 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 5.3 p -82.16 -11.62 58.62 Favored 'General case' 0 C--N 1.326 -0.413 0 CA-C-O 120.765 0.317 . . . . 0.0 111.496 179.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.1 tt0 -115.5 -24.37 8.38 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.186 0.517 . . . . 0.0 110.409 -178.933 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 76.9 t80 -64.45 -18.52 64.83 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.686 -0.688 . . . . 0.0 111.388 -178.212 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 10.6 m -83.7 -7.63 10.94 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.584 0 CA-C-N 116.336 -0.393 . . . . 0.0 111.665 -175.422 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.448 ' HH2' ' HB3' ' A' ' 9' ' ' CYS . 97.8 m95 -105.61 122.88 46.94 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 120.965 0.412 . . . . 0.0 111.246 -178.219 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 33.5 m -109.77 125.28 52.53 Favored 'General case' 0 C--N 1.322 -0.629 0 CA-C-N 116.147 -0.479 . . . . 0.0 109.981 174.254 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 54.6 m -76.96 115.57 16.87 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.964 0.411 . . . . 0.0 110.999 -179.474 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.3 m -105.76 4.2 10.31 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.49 0 CA-C-O 121.303 0.573 . . . . 0.0 110.352 179.245 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.598 ' HB3' ' HB ' ' A' ' 61' ' ' VAL . 9.2 tpt180 -169.28 174.61 6.01 Favored 'General case' 0 C--N 1.327 -0.397 0 N-CA-C 107.736 -1.209 . . . . 0.0 107.736 179.319 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.446 ' N ' ' HG3' ' A' ' 58' ' ' ARG . 4.7 m-20 -39.82 -63.8 0.55 Allowed 'General case' 0 N--CA 1.468 0.455 0 C-N-CA 123.2 0.6 . . . . 0.0 112.324 179.446 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.481 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 12.8 m-20 -123.33 23.42 9.05 Favored 'General case' 0 C--N 1.328 -0.367 0 N-CA-C 111.667 0.247 . . . . 0.0 111.667 -178.798 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.598 ' HB ' ' HB3' ' A' ' 58' ' ' ARG . 21.4 t -106.47 109.53 28.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 N-CA-C 110.042 -0.355 . . . . 0.0 110.042 177.58 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 3.6 mpp? -109.37 135.93 49.62 Favored 'General case' 0 C--N 1.321 -0.636 0 N-CA-C 109.915 -0.402 . . . . 0.0 109.915 178.823 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 29.0 ptt180 -104.55 145.2 30.64 Favored 'General case' 0 C--N 1.322 -0.626 0 N-CA-C 110.012 -0.366 . . . . 0.0 110.012 177.202 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.5 OUTLIER -77.65 119.18 20.83 Favored 'General case' 0 C--N 1.322 -0.623 0 N-CA-C 108.253 -1.018 . . . . 0.0 108.253 173.226 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.693 ' O ' ' HG3' ' A' ' 68' ' ' GLN . . . -99.7 119.69 6.6 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.394 -0.907 . . . . 0.0 112.513 -177.828 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.41 ' HG3' ' H ' ' A' ' 66' ' ' ARG . 0.8 OUTLIER -66.19 -13.23 59.94 Favored 'General case' 0 C--N 1.326 -0.417 0 CA-C-O 120.861 0.362 . . . . 0.0 111.428 177.81 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.7 pt-20 -58.61 -29.46 66.49 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.281 -0.418 . . . . 0.0 111.597 177.038 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.693 ' HG3' ' O ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -65.6 -31.25 72.18 Favored 'General case' 0 N--CA 1.461 0.102 0 CA-C-O 120.746 0.308 . . . . 0.0 110.335 178.972 . . . . . . . . 3 3 . 1 . 003 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.544 ' HG ' ' OE1' ' A' ' 68' ' ' GLN . 31.8 mt -65.57 -41.04 93.37 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.42 177.746 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.545 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 14.8 mm100 -63.94 -34.43 77.95 Favored 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 115.8 -0.637 . . . . 0.0 110.622 -179.653 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 68.6 mt -75.5 -46.13 38.03 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.611 0 CA-C-N 116.128 -0.487 . . . . 0.0 111.018 177.907 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.523 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 36.8 mt -66.63 -25.82 66.77 Favored 'General case' 0 C--N 1.331 -0.238 0 N-CA-C 112.181 0.437 . . . . 0.0 112.181 -175.55 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.545 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.5 pp -66.24 -25.59 66.96 Favored 'General case' 0 C--N 1.331 -0.236 0 C-N-CA 120.796 -0.361 . . . . 0.0 110.962 -179.974 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 33.3 mt-10 -63.23 -39.1 93.67 Favored 'General case' 0 CA--C 1.522 -0.118 0 CA-C-O 121.041 0.448 . . . . 0.0 110.0 174.265 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.57 HE22 HG22 ' A' ' 29' ' ' ILE . 29.6 mm-40 -72.54 -49.66 31.08 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-N 115.921 -0.581 . . . . 0.0 109.578 176.833 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 74.39 -11.08 1.05 Allowed 'General case' 0 N--CA 1.47 0.534 0 CA-C-N 115.404 -0.816 . . . . 0.0 112.07 172.418 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.457 ' H ' HG13 ' A' ' 77' ' ' ILE . 1.8 pp -79.25 68.34 0.44 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.487 0 CA-C-O 121.706 0.765 . . . . 0.0 112.169 -177.723 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.711 ' HA ' HD13 ' A' ' 83' ' ' ILE . 4.8 p-10 -63.83 -29.43 70.62 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 115.448 -0.797 . . . . 0.0 110.657 -179.242 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 25.7 tt0 -72.72 -34.33 67.02 Favored 'General case' 0 C--N 1.323 -0.544 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.698 179.98 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 16.0 ttm180 -84.16 -50.04 8.29 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.841 -174.861 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.505 ' HB3' HD12 ' A' ' 83' ' ' ILE . 14.9 tp -80.11 -11.29 59.77 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 116.092 -0.504 . . . . 0.0 110.679 -177.75 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 0.9 OUTLIER 67.68 43.86 1.75 Allowed 'General case' 0 N--CA 1.469 0.484 0 CA-C-N 115.787 -0.642 . . . . 0.0 111.956 176.744 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.711 HD13 ' HA ' ' A' ' 78' ' ' ASN . 2.5 mp -58.88 122.23 8.36 Favored 'Isoleucine or valine' 0 C--O 1.236 0.36 0 N-CA-C 109.692 -0.484 . . . . 0.0 109.692 175.738 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.513 ' HA3' HD23 ' A' ' 87' ' ' LEU . . . -65.82 157.37 48.44 Favored Glycine 0 N--CA 1.445 -0.718 0 CA-C-N 115.536 -0.757 . . . . 0.0 113.268 -174.847 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.556 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 21.1 mt-10 -67.98 -45.26 41.84 Favored Pre-proline 0 C--N 1.318 -0.775 0 CA-C-N 115.366 -0.417 . . . . 0.0 111.438 179.412 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.556 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 50.4 Cg_exo -57.46 -26.2 70.21 Favored 'Trans proline' 0 C--N 1.356 0.955 0 C-N-CA 121.859 1.706 . . . . 0.0 111.722 171.268 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.513 HD23 ' HA3' ' A' ' 84' ' ' GLY . 3.7 mm? -74.16 -31.91 62.9 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-O 121.172 0.51 . . . . 0.0 109.74 178.761 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 87.6 mt -70.08 -39.88 75.34 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-N 115.723 -0.672 . . . . 0.0 110.522 177.0 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.483 HG22 ' O ' ' A' ' 86' ' ' PRO . 9.0 m -71.36 -31.31 43.04 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.251 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.716 -179.992 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 7.2 t80 -54.37 -42.7 70.62 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.05 0.453 . . . . 0.0 110.012 175.787 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.52 HD12 ' HB3' ' A' ' 69' ' ' LEU . 9.0 tt -65.8 -33.15 75.2 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-N 115.773 -0.649 . . . . 0.0 110.585 -179.427 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 67.2 mtp85 -64.47 -57.15 10.02 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-N 115.913 -0.585 . . . . 0.0 110.69 -178.975 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.5 tpp180 -175.64 128.22 0.25 Allowed 'General case' 0 C--N 1.326 -0.434 0 CA-C-N 116.082 -0.508 . . . . 0.0 110.574 179.971 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.2 mm-40 -118.08 144.53 45.55 Favored 'General case' 0 C--N 1.318 -0.777 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.739 172.085 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -65.02 -43.13 93.48 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-O 121.104 0.478 . . . . 0.0 110.294 -178.925 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.7 mt -104.03 128.8 26.43 Favored Pre-proline 0 C--N 1.323 -0.555 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.831 177.242 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 24.9 Cg_endo -64.04 -40.92 24.79 Favored 'Trans proline' 0 C--O 1.233 0.267 0 C-N-CA 122.551 2.167 . . . . 0.0 111.551 178.939 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 39.7 mt-10 -114.1 101.32 9.11 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.517 175.908 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 49.2 mt -84.08 105.44 13.48 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 109.079 -0.711 . . . . 0.0 109.079 174.037 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.2 p -98.02 130.06 44.86 Favored 'General case' 0 C--N 1.319 -0.731 0 CA-C-N 115.639 -0.71 . . . . 0.0 111.944 -174.855 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -122.98 120.87 34.64 Favored 'General case' 0 C--N 1.319 -0.743 0 CA-C-N 115.483 -0.78 . . . . 0.0 108.972 175.087 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.481 ' HA ' ' O ' ' A' ' 60' ' ' ASP . 20.0 pt20 -118.58 139.23 51.8 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.513 0.673 . . . . 0.0 111.944 -175.465 . . . . . . . . 2 2 . 1 . 003 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 74.2 mtp180 -90.45 -12.75 36.45 Favored 'General case' 0 C--N 1.322 -0.592 0 CA-C-N 115.17 -0.923 . . . . 0.0 110.071 179.555 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 4.8 pt20 -95.0 153.13 17.78 Favored 'General case' 0 C--N 1.325 -0.465 0 CA-C-N 115.49 -0.777 . . . . 0.0 109.86 177.419 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 79.6 mt -97.6 22.26 9.21 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-O 121.005 0.431 . . . . 0.0 110.992 -174.078 . . . . . . . . 1 1 . 1 . 003 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 27.6 mmt180 . . . . . 0 C--O 1.249 1.038 0 CA-C-O 118.672 -0.68 . . . . 0.0 109.769 179.505 . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.1 ptt? . . . . . 0 N--CA 1.484 1.233 0 CA-C-O 120.656 0.265 . . . . 0.0 110.938 . . . . . . . . . 0 0 . 1 . 004 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.3 m -93.94 179.36 5.36 Favored 'General case' 0 C--N 1.327 -0.408 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 177.514 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 49.4 mm -68.7 134.75 29.68 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.289 0.566 . . . . 0.0 111.139 -174.663 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.6 p -93.11 -175.48 3.87 Favored 'General case' 0 C--N 1.321 -0.656 0 CA-C-N 115.425 -0.807 . . . . 0.0 111.497 -176.154 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 19.7 m -85.77 -170.4 3.09 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-N 115.578 -0.737 . . . . 0.0 110.241 177.775 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.7 m -50.65 -21.83 1.76 Allowed 'General case' 0 CA--C 1.538 0.507 0 C-N-CA 123.454 0.701 . . . . 0.0 112.153 179.464 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.3 m-20 -51.19 -22.38 2.58 Favored 'General case' 0 N--CA 1.467 0.395 0 N-CA-C 112.088 0.403 . . . . 0.0 112.088 176.415 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.593 ' HA ' ' HB2' ' A' ' 86' ' ' PRO . 18.6 tt -59.51 -37.37 69.76 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.322 0 CA-C-O 120.926 0.393 . . . . 0.0 110.84 177.67 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 36.6 t -74.72 -33.85 62.46 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.217 -0.447 . . . . 0.0 110.335 177.495 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 70.4 mm-40 -72.92 -43.27 62.61 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.785 -0.643 . . . . 0.0 110.965 -176.077 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.82 -31.95 73.3 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 120.832 0.348 . . . . 0.0 111.265 -179.467 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -69.51 -14.75 63.03 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-N 116.361 -0.382 . . . . 0.0 111.38 179.272 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.7 t70 -88.84 -23.0 22.92 Favored 'General case' 0 C--N 1.326 -0.421 0 CA-C-O 121.097 0.475 . . . . 0.0 110.537 177.979 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.59 4.26 40.93 Favored 'General case' 0 C--N 1.33 -0.266 0 CA-C-N 116.011 -0.541 . . . . 0.0 111.442 -176.88 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.495 ' O ' ' HB2' ' A' ' 50' ' ' SER . 55.2 mt -71.64 129.37 38.55 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-N 116.309 -0.405 . . . . 0.0 110.101 179.072 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 21.9 pttp -131.75 141.16 49.44 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-O 121.129 0.49 . . . . 0.0 111.07 -177.529 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 137.25 151.52 5.96 Favored Glycine 0 N--CA 1.447 -0.613 0 N-CA-C 110.56 -1.016 . . . . 0.0 110.56 -175.487 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 99.7 m-85 -116.27 117.49 30.16 Favored 'General case' 0 C--N 1.321 -0.659 0 CA-C-N 117.635 0.718 . . . . 0.0 111.048 -175.959 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.607 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 10.7 p -108.76 127.31 65.41 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.676 0 CA-C-N 115.828 -0.624 . . . . 0.0 109.878 -178.151 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.456 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -138.83 169.86 24.23 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.737 -0.744 . . . . 0.0 112.76 -173.64 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -92.65 113.72 26.07 Favored 'General case' 0 C--N 1.323 -0.582 0 CA-C-O 120.954 0.407 . . . . 0.0 110.671 -177.923 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.485 ' HA ' HG22 ' A' ' 41' ' ' VAL . 2.8 t-20 -92.19 100.8 13.34 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.734 -0.839 . . . . 0.0 108.734 176.397 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -75.63 -14.98 60.39 Favored 'General case' 0 C--N 1.325 -0.467 0 C-N-CA 121.098 -0.241 . . . . 0.0 110.785 -171.001 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 8.8 ttpp -62.15 -37.57 85.7 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 116.375 -0.375 . . . . 0.0 110.472 175.592 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.423 HG23 ' H ' ' A' ' 27' ' ' ARG . 6.6 t -100.67 -26.32 13.84 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-O 120.982 0.42 . . . . 0.0 110.426 177.225 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 88.56 24.21 34.08 Favored Glycine 0 N--CA 1.447 -0.615 0 C-N-CA 120.918 -0.658 . . . . 0.0 111.847 179.354 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.423 ' H ' HG23 ' A' ' 25' ' ' THR . 41.2 mtp180 -127.66 162.35 26.75 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.063 0.459 . . . . 0.0 111.018 -177.972 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.477 ' CE2' HG22 ' A' ' 19' ' ' VAL . 11.4 t80 -100.76 111.75 24.03 Favored 'General case' 0 C--N 1.32 -0.675 0 N-CA-C 108.706 -0.849 . . . . 0.0 108.706 177.535 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.7 pp -127.19 158.91 38.05 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 CA-C-O 120.861 0.362 . . . . 0.0 111.675 -170.528 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.607 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 11.2 p -105.28 143.47 16.47 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.461 0 CA-C-O 121.379 0.609 . . . . 0.0 111.645 -174.55 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.541 ' HE ' ' HA ' ' A' ' 31' ' ' ARG . 0.4 OUTLIER -132.4 161.42 33.68 Favored 'General case' 0 C--N 1.32 -0.694 0 N-CA-C 108.188 -1.042 . . . . 0.0 108.188 174.268 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 78.2 t80 -79.33 -40.44 30.29 Favored 'General case' 0 C--N 1.323 -0.563 0 C-N-CA 120.518 -0.473 . . . . 0.0 110.223 -178.067 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 12.8 p -109.22 138.77 45.07 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 116.018 -0.537 . . . . 0.0 110.539 178.689 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 7.4 pt-20 -70.45 -37.96 74.41 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-O 121.171 0.51 . . . . 0.0 111.349 178.724 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 3.2 p-10 -85.48 17.7 3.08 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-N 115.993 -0.549 . . . . 0.0 112.153 -173.208 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.493 ' OG ' ' HG2' ' A' ' 31' ' ' ARG . 54.4 p -98.06 -11.25 23.14 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-O 121.151 0.501 . . . . 0.0 109.817 174.259 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.502 ' HB3' ' HB ' ' A' ' 41' ' ' VAL . 56.6 m-85 -71.68 145.13 49.07 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.773 -0.649 . . . . 0.0 109.818 175.513 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -95.0 -168.02 36.15 Favored Glycine 0 N--CA 1.443 -0.87 0 C-N-CA 120.515 -0.85 . . . . 0.0 112.019 -179.317 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 26.9 ptt? -68.44 -3.79 12.58 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-O 120.642 0.258 . . . . 0.0 111.627 -179.837 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.1 t70 -76.25 -45.76 31.26 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.058 0.456 . . . . 0.0 110.035 176.618 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.502 ' HB ' ' HB3' ' A' ' 37' ' ' PHE . 57.9 t -82.38 129.99 36.52 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.559 0 CA-C-N 115.84 -0.618 . . . . 0.0 110.016 179.705 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.32 143.59 35.04 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.742 -179.195 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 20.7 t70 -59.12 -37.41 77.14 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.389 0.614 . . . . 0.0 110.505 177.761 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -68.3 -21.55 64.77 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.394 -0.821 . . . . 0.0 110.813 179.285 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.456 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 14.9 m -92.26 1.97 56.9 Favored 'General case' 0 C--N 1.323 -0.546 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.24 -177.86 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 68.4 mt -96.35 123.76 48.76 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 120.753 0.311 . . . . 0.0 110.223 178.868 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 56.9 m -143.04 130.97 11.14 Favored Pre-proline 0 C--N 1.325 -0.469 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.533 -179.811 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 16.0 Cg_endo -59.14 140.38 94.74 Favored 'Trans proline' 0 C--N 1.345 0.356 0 C-N-CA 122.349 2.033 . . . . 0.0 111.171 174.098 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 10.0 t -61.25 -25.56 67.16 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 111.883 0.327 . . . . 0.0 111.883 -174.061 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.495 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 33.1 t -69.65 -44.73 69.97 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.825 -0.435 . . . . 0.0 109.825 176.686 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.2 tt0 -79.0 -6.79 57.22 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-O 121.213 0.53 . . . . 0.0 110.174 -179.84 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 67.9 t80 -81.19 -29.03 34.7 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.253 177.886 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.4 HG22 ' O ' ' A' ' 50' ' ' SER . 23.7 m -89.89 -25.35 5.59 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.307 0 CA-C-O 120.826 0.346 . . . . 0.0 110.554 179.103 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 99.3 m95 -92.2 114.57 27.15 Favored 'General case' 0 N--CA 1.451 -0.378 0 CA-C-O 121.1 0.476 . . . . 0.0 109.819 174.356 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 9.3 t -90.67 109.59 20.77 Favored 'General case' 0 C--N 1.312 -1.033 0 N-CA-C 108.988 -0.745 . . . . 0.0 108.988 178.527 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.429 ' HA ' ' HG2' ' A' ' 62' ' ' MET . 7.2 m -76.69 113.68 14.6 Favored 'General case' 0 N--CA 1.445 -0.725 0 N-CA-C 109.732 -0.469 . . . . 0.0 109.732 179.873 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 35.7 m -101.31 -13.4 8.34 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.44 0.638 . . . . 0.0 109.668 179.612 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.552 ' HB3' ' HB ' ' A' ' 61' ' ' VAL . 8.0 tpt180 -153.3 167.44 29.35 Favored 'General case' 0 N--CA 1.447 -0.616 0 N-CA-C 108.117 -1.068 . . . . 0.0 108.117 178.148 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 3.6 m-20 -56.4 -45.48 80.62 Favored 'General case' 0 C--N 1.328 -0.358 0 CA-C-O 120.875 0.369 . . . . 0.0 111.367 179.497 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.654 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 15.2 p-10 -105.02 -7.36 19.27 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 116.161 -0.472 . . . . 0.0 111.791 -176.191 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.552 ' HB ' ' HB3' ' A' ' 58' ' ' ARG . 42.8 t -116.34 117.51 55.74 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.364 0 CA-C-O 121.221 0.534 . . . . 0.0 111.487 -176.436 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.429 ' HG2' ' HA ' ' A' ' 56' ' ' SER . 52.5 mtt -126.17 162.74 24.69 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 109.282 -0.636 . . . . 0.0 109.282 175.333 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.481 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 8.8 ptm85 -137.51 152.88 49.97 Favored 'General case' 0 C--N 1.324 -0.516 0 C-N-CA 121.009 -0.276 . . . . 0.0 110.856 177.399 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.426 HD22 ' HA ' ' A' ' 64' ' ' LEU . 1.0 OUTLIER -87.61 128.02 35.27 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.541 -0.54 . . . . 0.0 109.541 179.915 . . . . . . . . 3 3 . 1 . 004 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.462 ' O ' ' HG2' ' A' ' 68' ' ' GLN . . . -113.94 129.09 8.58 Favored Glycine 0 N--CA 1.448 -0.537 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.755 177.239 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.491 ' HB3' ' CE2' ' A' ' 90' ' ' TYR . 9.7 ptp180 -71.73 -31.15 66.39 Favored 'General case' 0 C--N 1.323 -0.583 0 O-C-N 122.148 -0.619 . . . . 0.0 111.801 179.024 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.494 ' HA ' ' CG ' ' A' ' 70' ' ' GLN . 43.1 mt-10 -63.31 -22.75 67.07 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.363 0.601 . . . . 0.0 110.84 -177.296 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.462 ' HG2' ' O ' ' A' ' 65' ' ' GLY . 5.8 mm100 -63.66 -42.39 98.08 Favored 'General case' 0 C--N 1.321 -0.673 0 CA-C-N 115.152 -0.931 . . . . 0.0 109.135 177.172 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.662 HD23 HD12 ' A' ' 72' ' ' LEU . 93.3 mt -73.36 -28.58 62.12 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.206 -0.906 . . . . 0.0 110.661 178.941 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.563 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 12.9 mm100 -62.33 -28.23 69.6 Favored 'General case' 0 C--N 1.332 -0.182 0 CA-C-O 121.076 0.465 . . . . 0.0 110.289 177.685 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 64.8 mt -75.46 -38.22 39.17 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-O 121.18 0.514 . . . . 0.0 110.553 175.252 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.662 HD12 HD23 ' A' ' 69' ' ' LEU . 93.5 mt -72.31 -25.44 61.57 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.826 -0.624 . . . . 0.0 112.044 -174.591 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.563 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.4 pp -64.8 -22.66 67.03 Favored 'General case' 0 C--N 1.33 -0.253 0 C-N-CA 121.054 -0.258 . . . . 0.0 111.114 179.321 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 18.3 mm-40 -53.56 -37.57 63.03 Favored 'General case' 0 N--CA 1.464 0.234 0 CA-C-O 120.897 0.38 . . . . 0.0 111.029 176.232 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.591 ' HB3' HG13 ' A' ' 77' ' ' ILE . 26.5 mp0 -83.05 -33.04 26.53 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.218 -0.446 . . . . 0.0 110.824 179.104 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 48.4 m-80 70.8 2.23 4.08 Favored 'General case' 0 N--CA 1.476 0.835 0 C-N-CA 123.611 0.764 . . . . 0.0 112.494 178.209 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.591 HG13 ' HB3' ' A' ' 75' ' ' GLN . 1.8 pp -90.73 60.41 0.26 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.497 0.665 . . . . 0.0 111.615 -178.122 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 35.9 m-20 -60.19 -27.83 67.47 Favored 'General case' 0 C--N 1.327 -0.372 0 CA-C-N 115.516 -0.765 . . . . 0.0 109.759 179.064 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.8 mp0 -67.46 -36.53 81.34 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.426 178.851 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 30.2 ttm180 -77.97 -43.0 31.02 Favored 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.475 -0.784 . . . . 0.0 110.01 -178.27 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.525 ' HB3' HD13 ' A' ' 83' ' ' ILE . 89.5 mt -68.51 -20.84 64.6 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 114.96 -1.018 . . . . 0.0 110.989 177.351 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.417 HD22 ' HA ' ' A' ' 82' ' ' ASN . 7.8 m120 69.58 23.82 5.78 Favored 'General case' 0 N--CA 1.467 0.406 0 CA-C-N 115.357 -0.838 . . . . 0.0 111.387 -178.711 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.525 HD13 ' HB3' ' A' ' 81' ' ' LEU . 1.4 mp -59.22 126.12 16.37 Favored 'Isoleucine or valine' 0 CA--C 1.531 0.218 0 CA-C-N 116.012 -0.54 . . . . 0.0 109.705 175.107 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.557 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -83.03 177.19 53.24 Favored Glycine 0 N--CA 1.448 -0.541 0 CA-C-N 115.724 -0.671 . . . . 0.0 113.885 -171.466 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.561 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 40.8 mt-10 -63.02 -48.07 85.17 Favored Pre-proline 0 C--N 1.325 -0.499 0 CA-C-N 115.502 -0.349 . . . . 0.0 111.635 178.775 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.598 ' HA ' HG22 ' A' ' 89' ' ' VAL . 11.8 Cg_endo -56.84 -22.16 44.06 Favored 'Trans proline' 0 C--N 1.356 0.971 0 C-N-CA 122.119 1.879 . . . . 0.0 111.755 173.971 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.557 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.0 mm? -79.08 -34.67 43.4 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.682 -0.69 . . . . 0.0 110.067 179.017 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.6 mp -70.15 -43.3 71.17 Favored 'General case' 0 C--O 1.233 0.185 0 CA-C-N 116.199 -0.455 . . . . 0.0 110.556 175.326 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.598 HG22 ' HA ' ' A' ' 86' ' ' PRO . 10.5 m -67.95 -31.85 53.78 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.612 -177.963 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.538 ' HB2' HD11 ' A' ' 8' ' ' ILE . 75.8 t80 -59.41 -37.13 77.22 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 116.327 -0.397 . . . . 0.0 110.451 176.622 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.527 HD21 ' HB2' ' A' ' 69' ' ' LEU . 89.0 mt -67.31 -33.85 76.14 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.383 177.18 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.405 ' HB2' ' O ' ' A' ' 89' ' ' VAL . 19.4 mmm180 -63.94 -58.58 6.31 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.887 -0.597 . . . . 0.0 109.854 175.83 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 7.1 tpt180 -161.68 173.98 13.93 Favored 'General case' 0 C--N 1.327 -0.381 0 N-CA-C 108.915 -0.772 . . . . 0.0 108.915 179.523 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 20.5 pt20 -140.85 133.25 28.36 Favored 'General case' 0 C--N 1.323 -0.55 0 CA-C-O 121.269 0.557 . . . . 0.0 110.901 175.24 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -82.05 -42.67 18.94 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.462 179.023 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 3.0 mm? -83.95 119.1 72.96 Favored Pre-proline 0 C--N 1.323 -0.57 0 CA-C-N 115.834 -0.621 . . . . 0.0 109.613 177.504 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 25.0 Cg_exo -63.88 -53.12 1.38 Allowed 'Trans proline' 0 C--O 1.232 0.202 0 C-N-CA 122.687 2.258 . . . . 0.0 111.616 178.907 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 8.1 mm-40 -106.6 100.89 10.38 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 115.947 -0.569 . . . . 0.0 110.811 178.911 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.427 HD12 ' CE1' ' A' ' 90' ' ' TYR . 51.3 mt -99.56 105.14 17.02 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.612 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 172.751 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.481 ' HA ' ' HA ' ' A' ' 63' ' ' ARG . 20.6 p -125.1 161.3 27.09 Favored 'General case' 0 C--N 1.318 -0.768 0 CA-C-N 115.708 -0.678 . . . . 0.0 110.733 -176.778 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -126.95 119.62 27.16 Favored 'General case' 0 C--N 1.319 -0.752 0 CA-C-N 115.966 -0.561 . . . . 0.0 109.646 176.417 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.654 ' HA ' ' O ' ' A' ' 60' ' ' ASP . 13.5 pt20 -144.93 134.16 22.87 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.117 -0.492 . . . . 0.0 109.726 179.596 . . . . . . . . 2 2 . 1 . 004 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 15.6 ptm180 -83.25 84.87 7.33 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-O 121.911 0.862 . . . . 0.0 110.716 -177.658 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 14.0 pt20 -91.61 -173.87 3.69 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 114.924 -1.035 . . . . 0.0 109.532 177.16 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 7.4 tt -81.28 -41.96 21.37 Favored 'General case' 0 C--N 1.321 -0.638 0 C-N-CA 120.889 -0.324 . . . . 0.0 110.219 -176.795 . . . . . . . . 1 1 . 1 . 004 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.448 ' O ' ' HG3' ' A' ' 106' ' ' ARG . 30.8 ptt180 . . . . . 0 C--O 1.251 1.148 0 CA-C-O 119.328 -0.367 . . . . 0.0 111.297 -177.89 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 2.2 mpt? . . . . . 0 N--CA 1.478 0.94 0 CA-C-O 120.874 0.369 . . . . 0.0 110.503 . . . . . . . . . 0 0 . 1 . 005 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 51.1 m -103.1 172.61 6.71 Favored 'General case' 0 C--N 1.321 -0.661 0 N-CA-C 109.569 -0.53 . . . . 0.0 109.569 175.316 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.423 HD13 ' HB ' ' A' ' 89' ' ' VAL . 43.5 mm -68.65 134.85 29.53 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 179.049 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 59.5 p -91.2 173.21 8.05 Favored 'General case' 0 C--N 1.319 -0.732 0 CA-C-N 116.332 -0.395 . . . . 0.0 110.735 -176.086 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 21.9 t -74.73 -171.89 1.41 Allowed 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.285 -0.416 . . . . 0.0 110.119 179.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 17.4 m -54.36 -22.12 11.38 Favored 'General case' 0 CA--C 1.537 0.468 0 C-N-CA 123.101 0.56 . . . . 0.0 111.926 -177.708 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 16.5 m-20 -52.18 -19.82 2.21 Favored 'General case' 0 N--CA 1.471 0.623 0 C-N-CA 122.96 0.504 . . . . 0.0 111.571 176.931 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.539 HD11 ' HB2' ' A' ' 90' ' ' TYR . 15.2 tt -52.71 -34.52 19.9 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.423 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.66 178.463 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 28.9 p -74.65 -29.24 61.19 Favored 'General case' 0 C--N 1.333 -0.138 0 CA-C-O 120.841 0.353 . . . . 0.0 110.943 -179.872 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 81.2 mm-40 -69.63 -34.67 74.37 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.162 0.506 . . . . 0.0 110.63 -177.748 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.34 -15.7 62.9 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.856 -0.611 . . . . 0.0 111.435 -178.479 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.556 ' HB1' HG21 ' A' ' 53' ' ' VAL . . . -71.34 -17.76 62.42 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.961 0.41 . . . . 0.0 111.274 179.494 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . 0.404 ' HA ' ' OG ' ' A' ' 50' ' ' SER . 86.2 m-20 -83.28 -5.44 59.14 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.378 -0.374 . . . . 0.0 110.91 179.589 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.1 -3.13 58.89 Favored 'General case' 0 C--N 1.33 -0.274 0 CA-C-O 120.988 0.423 . . . . 0.0 111.052 -179.406 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.548 ' O ' ' HB2' ' A' ' 50' ' ' SER . 9.7 mp -82.83 122.65 28.5 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-N 115.915 -0.584 . . . . 0.0 110.094 178.631 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -120.51 138.46 53.82 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.042 0.449 . . . . 0.0 110.663 178.787 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 141.98 166.03 10.72 Favored Glycine 0 N--CA 1.444 -0.827 0 CA-C-N 115.593 -0.73 . . . . 0.0 111.384 -177.773 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.492 ' HB3' ' CG2' ' A' ' 46' ' ' ILE . 85.4 m-85 -122.41 117.58 26.35 Favored 'General case' 0 C--N 1.317 -0.832 0 CA-C-O 121.046 0.451 . . . . 0.0 110.279 -177.801 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.479 HG23 ' HB ' ' A' ' 49' ' ' THR . 43.5 t -95.81 130.92 43.84 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.173 -0.467 . . . . 0.0 109.755 -178.832 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -135.21 158.84 23.8 Favored Glycine 0 N--CA 1.444 -0.821 0 C-N-CA 120.369 -0.92 . . . . 0.0 111.959 -178.342 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.2 t80 -94.27 112.56 24.36 Favored 'General case' 0 C--N 1.318 -0.778 0 CA-C-O 120.756 0.313 . . . . 0.0 110.206 179.21 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.552 ' HB2' HG12 ' A' ' 29' ' ' ILE . 26.8 t-20 -83.51 104.05 13.34 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 176.381 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.2 ptm180 -69.22 -29.29 67.21 Favored 'General case' 0 C--N 1.321 -0.643 0 CA-C-N 115.52 -0.764 . . . . 0.0 111.827 -173.942 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.418 ' HE3' ' HB2' ' A' ' 24' ' ' LYS . 37.5 ttmt -62.52 -51.46 67.31 Favored 'General case' 0 C--N 1.33 -0.242 0 CA-C-O 120.655 0.264 . . . . 0.0 110.856 179.571 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 47.0 p -79.29 -23.51 43.52 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-O 120.92 0.391 . . . . 0.0 110.776 177.929 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.36 29.78 35.69 Favored Glycine 0 N--CA 1.448 -0.519 0 CA-C-N 115.979 -0.555 . . . . 0.0 112.597 176.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -153.37 166.29 33.09 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 121.008 0.432 . . . . 0.0 111.593 -179.179 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.7 m-85 -75.57 137.46 40.82 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-N 115.775 -0.648 . . . . 0.0 111.807 -178.184 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.552 HG12 ' HB2' ' A' ' 22' ' ' ASN . 2.5 pp -126.93 153.75 36.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.622 0 CA-C-N 116.001 -0.545 . . . . 0.0 110.461 177.444 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 53.2 t -105.92 120.42 56.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.631 0 CA-C-O 120.96 0.41 . . . . 0.0 110.578 -178.487 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.516 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 3.8 mmp_? -109.99 132.08 54.48 Favored 'General case' 0 C--N 1.322 -0.612 0 N-CA-C 109.234 -0.654 . . . . 0.0 109.234 175.745 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.517 ' CZ ' ' HG2' ' A' ' 80' ' ' ARG . 98.9 m-85 -87.19 -13.79 42.97 Favored 'General case' 0 C--N 1.316 -0.867 0 CA-C-O 121.427 0.632 . . . . 0.0 109.938 179.751 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.419 ' HB2' ' OG ' ' A' ' 36' ' ' SER . 9.8 m -129.96 129.0 43.22 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.88 -1.055 . . . . 0.0 108.579 172.016 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 11.3 pt-20 -69.98 -12.9 61.96 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.979 0.419 . . . . 0.0 110.653 -178.321 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.8 m-20 -86.79 -4.23 59.15 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.905 -0.589 . . . . 0.0 110.736 -179.504 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.419 ' OG ' ' HB2' ' A' ' 33' ' ' SER . 15.6 m -90.26 26.92 1.78 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-O 121.013 0.435 . . . . 0.0 111.023 -178.678 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 11.3 p90 -91.49 -169.65 2.37 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.829 178.458 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -151.37 -161.31 9.99 Favored Glycine 0 N--CA 1.449 -0.489 0 C-N-CA 120.451 -0.88 . . . . 0.0 112.185 -179.15 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 18.9 ptp -76.51 -18.32 58.8 Favored 'General case' 0 C--N 1.325 -0.468 0 CA-C-O 121.086 0.469 . . . . 0.0 110.094 178.282 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 30.1 t70 -84.32 -58.77 2.61 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.84 -0.618 . . . . 0.0 109.862 177.152 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.8 t -76.11 102.91 3.25 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.486 0 CA-C-N 115.869 -0.605 . . . . 0.0 110.179 177.14 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.17 142.22 52.5 Favored 'General case' 0 C--N 1.322 -0.605 0 CA-C-N 116.522 -0.308 . . . . 0.0 110.19 176.954 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.2 p-10 -74.47 -6.83 50.58 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.091 0.472 . . . . 0.0 110.578 -178.658 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 19.7 t70 -86.58 -12.52 48.45 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-O 121.505 0.669 . . . . 0.0 109.635 174.864 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 6.3 m -101.02 16.67 24.58 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 115.563 -0.744 . . . . 0.0 110.251 179.979 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.492 ' CG2' ' HB3' ' A' ' 18' ' ' PHE . 68.3 mt -112.25 135.43 51.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.422 -177.917 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . 0.417 ' HA ' ' HD2' ' A' ' 48' ' ' PRO . 90.6 m -140.71 130.06 13.07 Favored Pre-proline 0 C--N 1.323 -0.572 0 CA-C-N 116.394 -0.366 . . . . 0.0 110.615 179.501 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.417 ' HD2' ' HA ' ' A' ' 47' ' ' THR . 8.8 Cg_endo -51.24 132.98 40.93 Favored 'Trans proline' 0 C--N 1.345 0.353 0 C-N-CA 122.921 2.414 . . . . 0.0 111.73 176.106 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.479 ' HB ' HG23 ' A' ' 19' ' ' VAL . 11.7 t -64.25 -27.86 69.34 Favored 'General case' 0 C--N 1.328 -0.353 0 N-CA-C 111.984 0.364 . . . . 0.0 111.984 -172.324 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.638 ' O ' HG22 ' A' ' 53' ' ' VAL . 23.0 t -67.92 -45.09 75.34 Favored 'General case' 0 C--N 1.326 -0.423 0 N-CA-C 109.71 -0.478 . . . . 0.0 109.71 177.383 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 33.4 tt0 -76.81 -14.93 59.86 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.358 0.599 . . . . 0.0 110.121 -179.537 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.8 t80 -73.15 -30.19 63.41 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.615 -0.721 . . . . 0.0 110.465 178.995 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.638 HG22 ' O ' ' A' ' 50' ' ' SER . 4.2 m -81.96 -18.87 11.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.206 0 CA-C-O 121.105 0.478 . . . . 0.0 110.252 -179.805 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 91.8 m95 -87.86 127.37 35.34 Favored 'General case' 0 N--CA 1.45 -0.463 0 CA-C-N 115.843 -0.617 . . . . 0.0 110.218 177.894 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 26.3 m -107.73 102.21 11.45 Favored 'General case' 0 C--N 1.316 -0.871 0 CA-C-N 115.809 -0.632 . . . . 0.0 109.886 178.007 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.523 ' HA ' ' HG2' ' A' ' 62' ' ' MET . 16.4 m -74.32 114.51 12.76 Favored 'General case' 0 C--N 1.324 -0.501 0 N-CA-C 109.284 -0.636 . . . . 0.0 109.284 177.593 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.5 m -124.8 0.49 5.23 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-O 120.873 0.368 . . . . 0.0 111.458 -175.374 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.419 ' HB3' ' H ' ' A' ' 61' ' ' VAL . 0.7 OUTLIER -157.41 162.85 39.01 Favored 'General case' 0 C--N 1.322 -0.625 0 N-CA-C 109.929 -0.397 . . . . 0.0 109.929 -178.467 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -57.83 -46.88 84.1 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-O 121.435 0.636 . . . . 0.0 110.73 -179.268 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.407 ' OD2' ' HB2' ' A' ' 102' ' ' GLN . 24.0 t70 -104.72 -31.65 9.25 Favored 'General case' 0 C--N 1.321 -0.631 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.082 -175.586 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.419 ' H ' ' HB3' ' A' ' 58' ' ' ARG . 20.0 t -102.85 126.33 57.1 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.066 -0.515 . . . . 0.0 111.889 -171.277 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.523 ' HG2' ' HA ' ' A' ' 56' ' ' SER . 69.4 mtm -124.81 153.54 42.35 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.898 -0.778 . . . . 0.0 108.898 172.248 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.543 ' HB3' HG22 ' A' ' 100' ' ' THR . 51.2 ptt85 -127.7 166.94 17.18 Favored 'General case' 0 C--N 1.322 -0.614 0 C-N-CA 120.659 -0.416 . . . . 0.0 111.04 -178.688 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.3 OUTLIER -85.6 128.51 34.78 Favored 'General case' 0 C--N 1.322 -0.601 0 N-CA-C 108.792 -0.818 . . . . 0.0 108.792 176.983 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.473 ' O ' ' HG3' ' A' ' 68' ' ' GLN . . . -93.45 132.56 11.28 Favored Glycine 0 N--CA 1.445 -0.723 0 C-N-CA 120.599 -0.81 . . . . 0.0 112.603 -178.24 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.502 ' HD2' ' CE2' ' A' ' 90' ' ' TYR . 9.7 mmm180 -70.31 -20.22 63.02 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 120.798 0.332 . . . . 0.0 110.531 175.145 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 26.0 mm-40 -53.62 -45.91 70.27 Favored 'General case' 0 N--CA 1.464 0.27 0 CA-C-N 115.846 -0.615 . . . . 0.0 112.375 -174.544 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.587 ' NE2' ' HG ' ' A' ' 69' ' ' LEU . 2.8 pp0? -51.93 -33.94 39.59 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-N 115.998 -0.547 . . . . 0.0 112.467 -179.104 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.587 ' HG ' ' NE2' ' A' ' 68' ' ' GLN . 82.9 mt -59.44 -36.37 75.8 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 120.789 0.328 . . . . 0.0 111.3 -177.521 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.844 HE21 ' HA ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -65.01 -42.46 94.4 Favored 'General case' 0 C--N 1.325 -0.483 0 CA-C-N 116.045 -0.525 . . . . 0.0 110.686 -173.615 . . . . . . . . 3 3 . 1 . 005 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.0 mt -76.27 -36.65 30.36 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.617 0 CA-C-N 116.046 -0.524 . . . . 0.0 111.004 178.451 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.576 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 61.5 mt -72.31 -31.54 65.78 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.316 -0.402 . . . . 0.0 112.072 -176.531 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.485 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.5 pp -63.25 -24.35 67.83 Favored 'General case' 0 C--N 1.33 -0.245 0 CA-C-O 120.608 0.242 . . . . 0.0 111.466 -178.075 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 42.1 mt-10 -68.74 -22.6 64.31 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-O 120.938 0.399 . . . . 0.0 110.869 178.363 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 86.1 mm-40 -118.34 97.83 5.97 Favored 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.287 -179.55 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.4 m120 -89.04 9.46 25.19 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-N 116.321 -0.4 . . . . 0.0 111.505 -175.523 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.477 ' H ' HG13 ' A' ' 77' ' ' ILE . 1.4 pp -75.55 68.95 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.332 0 CA-C-O 121.774 0.797 . . . . 0.0 110.838 176.218 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 27.3 t-20 -59.77 -39.4 84.76 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-N 114.863 -1.062 . . . . 0.0 111.653 -174.796 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 60.0 mm-40 -59.09 -29.03 67.04 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.178 -0.465 . . . . 0.0 111.054 -178.992 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.517 ' HG2' ' CZ ' ' A' ' 32' ' ' PHE . 38.4 ttm180 -93.54 -47.81 6.66 Favored 'General case' 0 C--N 1.323 -0.58 0 CA-C-O 121.207 0.527 . . . . 0.0 110.824 179.506 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.445 ' HB2' HD12 ' A' ' 77' ' ' ILE . 13.0 tp -70.51 -21.06 62.78 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 115.083 -0.962 . . . . 0.0 112.161 -172.647 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 12.8 m120 69.08 31.04 4.22 Favored 'General case' 0 N--CA 1.471 0.611 0 N-CA-C 112.81 0.67 . . . . 0.0 112.81 173.578 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 1.6 mp -72.91 130.3 35.71 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 N-CA-C 109.799 -0.445 . . . . 0.0 109.799 174.641 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.491 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -68.73 158.32 52.85 Favored Glycine 0 N--CA 1.449 -0.473 0 C-N-CA 121.002 -0.618 . . . . 0.0 112.922 -177.079 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.568 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 5.5 mp0 -61.21 -48.22 92.31 Favored Pre-proline 0 CA--C 1.538 0.507 0 N-CA-C 111.679 0.252 . . . . 0.0 111.679 179.93 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.568 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 32.2 Cg_exo -60.6 -19.63 61.0 Favored 'Trans proline' 0 C--N 1.357 1.0 0 C-N-CA 122.001 1.801 . . . . 0.0 112.193 175.405 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.491 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.7 mm? -76.38 -23.51 54.11 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.125 0.488 . . . . 0.0 109.936 179.407 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.5 mt -73.68 -40.87 63.35 Favored 'General case' 0 C--N 1.33 -0.267 0 CA-C-N 115.91 -0.586 . . . . 0.0 110.523 177.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.423 ' HB ' HD13 ' A' ' 3' ' ' ILE . 26.8 m -71.79 -29.7 34.87 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 116.41 -0.359 . . . . 0.0 110.707 178.954 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.539 ' HB2' HD11 ' A' ' 8' ' ' ILE . 44.4 t80 -51.58 -28.34 13.71 Favored 'General case' 0 CA--C 1.536 0.435 0 CA-C-N 116.004 -0.544 . . . . 0.0 111.281 176.309 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.502 HD23 HD13 ' A' ' 69' ' ' LEU . 59.3 mt -63.34 -32.85 74.39 Favored 'General case' 0 N--CA 1.463 0.224 0 CA-C-O 121.055 0.455 . . . . 0.0 111.109 175.77 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 29.0 mtp180 -88.18 -44.6 10.76 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.567 -177.126 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 11.5 ttp180 -167.1 160.88 14.32 Favored 'General case' 0 C--N 1.328 -0.339 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 176.856 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.501 ' HB2' HD11 ' A' ' 99' ' ' ILE . 14.9 pt20 -112.06 156.55 22.02 Favored 'General case' 0 C--N 1.321 -0.65 0 CA-C-N 116.267 -0.424 . . . . 0.0 110.406 176.4 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 16.5 t70 -61.57 -71.9 0.14 Allowed 'General case' 0 N--CA 1.466 0.328 0 CA-C-N 116.422 -0.354 . . . . 0.0 111.182 -179.009 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 95.2 mt -81.4 148.93 64.14 Favored Pre-proline 0 C--N 1.323 -0.554 0 CA-C-N 116.063 -0.517 . . . . 0.0 109.899 178.303 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 51.2 Cg_exo -55.29 -39.31 91.67 Favored 'Trans proline' 0 C--N 1.345 0.363 0 C-N-CA 122.382 2.055 . . . . 0.0 110.951 174.33 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 5.6 mm-40 -129.42 102.6 6.48 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.123 -0.944 . . . . 0.0 109.08 171.84 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.501 HD11 ' HB2' ' A' ' 94' ' ' GLN . 52.9 mt -81.66 110.58 17.15 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.471 0 CA-C-O 120.991 0.424 . . . . 0.0 110.315 -178.229 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.543 HG22 ' HB3' ' A' ' 63' ' ' ARG . 24.2 p -122.58 153.2 39.59 Favored 'General case' 0 N--CA 1.445 -0.684 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.878 -176.709 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -132.4 120.28 21.8 Favored 'General case' 0 C--N 1.317 -0.822 0 CA-C-N 114.865 -1.061 . . . . 0.0 108.32 171.387 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.407 ' HB2' ' OD2' ' A' ' 60' ' ' ASP . 4.8 pt20 -109.94 151.94 26.46 Favored 'General case' 0 C--N 1.317 -0.81 0 CA-C-N 116.398 -0.364 . . . . 0.0 111.236 -174.515 . . . . . . . . 2 2 . 1 . 005 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 16.1 mmm180 -45.88 117.12 1.39 Allowed 'General case' 0 C--N 1.329 -0.288 0 CA-C-N 115.226 -0.897 . . . . 0.0 112.206 -178.571 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.5 pt20 -83.63 96.28 8.62 Favored 'General case' 0 C--N 1.323 -0.567 0 CA-C-N 115.167 -0.924 . . . . 0.0 110.471 179.768 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 93.1 mt -104.42 22.34 15.08 Favored 'General case' 0 C--N 1.323 -0.556 0 CA-C-N 115.535 -0.757 . . . . 0.0 110.905 -177.51 . . . . . . . . 1 1 . 1 . 005 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER . . . . . 0 C--O 1.248 0.987 0 CA-C-O 118.727 -0.654 . . . . 0.0 109.774 -179.507 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.481 1.092 0 CA-C-O 120.987 0.422 . . . . 0.0 110.27 . . . . . . . . . 0 0 . 1 . 006 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 45.4 m -120.49 174.59 6.45 Favored 'General case' 0 C--N 1.32 -0.706 0 CA-C-N 115.923 -0.581 . . . . 0.0 110.441 -179.982 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.486 HD11 ' O ' ' A' ' 93' ' ' ARG . 47.1 mm -87.21 156.11 3.25 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 N-CA-C 109.427 -0.582 . . . . 0.0 109.427 177.697 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 32.2 p -90.9 -175.85 4.48 Favored 'General case' 0 C--N 1.323 -0.574 0 CA-C-O 121.016 0.436 . . . . 0.0 111.757 -174.042 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.553 ' O ' HG22 ' A' ' 8' ' ' ILE . 12.1 t -80.24 -170.17 2.4 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.908 -0.587 . . . . 0.0 110.29 -179.507 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.3 m -50.83 -22.56 2.23 Favored 'General case' 0 N--CA 1.468 0.435 0 C-N-CA 123.623 0.769 . . . . 0.0 112.152 -176.858 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 6.4 m-20 -52.1 -26.76 11.93 Favored 'General case' 0 CA--C 1.531 0.235 0 CA-C-N 116.17 -0.468 . . . . 0.0 111.758 176.239 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.711 HD11 ' HB2' ' A' ' 90' ' ' TYR . 10.6 tt -63.79 -42.51 96.16 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.285 0 CA-C-O 120.9 0.381 . . . . 0.0 110.364 177.42 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.8 m -74.33 -33.38 63.14 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 121.14 0.495 . . . . 0.0 109.989 178.415 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -66.75 -44.36 81.69 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-N 115.701 -0.681 . . . . 0.0 110.665 -179.643 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.08 -34.29 77.32 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.267 -0.424 . . . . 0.0 111.166 -179.844 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.429 ' HB2' HD11 ' A' ' 87' ' ' LEU . . . -65.58 -31.03 71.85 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-O 121.16 0.505 . . . . 0.0 110.859 178.278 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 26.8 t70 -87.61 -15.14 38.16 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-O 121.316 0.579 . . . . 0.0 110.498 179.869 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -97.55 7.31 46.71 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.144 -178.686 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.491 HD22 ' HA ' ' A' ' 83' ' ' ILE . 84.6 mt -65.54 124.85 23.43 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.294 -0.412 . . . . 0.0 110.229 178.011 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.427 ' HE2' ' HB3' ' A' ' 16' ' ' LYS . 16.5 ptpt -103.18 145.93 29.18 Favored 'General case' 0 C--N 1.319 -0.748 0 CA-C-N 116.466 -0.334 . . . . 0.0 110.451 -177.769 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.64 168.55 15.43 Favored Glycine 0 N--CA 1.446 -0.672 0 C-N-CA 120.714 -0.755 . . . . 0.0 112.14 -179.308 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 92.7 m-85 -118.27 165.17 14.15 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.885 0.374 . . . . 0.0 110.38 -178.605 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 12.8 p -146.64 144.16 20.34 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.822 0 N-CA-C 109.2 -0.666 . . . . 0.0 109.2 178.17 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.8 172.35 29.74 Favored Glycine 0 N--CA 1.449 -0.5 0 C-N-CA 120.654 -0.784 . . . . 0.0 112.197 -177.133 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 84.9 t80 -104.84 118.56 36.85 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-O 120.7 0.286 . . . . 0.0 110.527 -178.134 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 50.7 t-20 -84.28 97.88 9.68 Favored 'General case' 0 C--N 1.325 -0.499 0 N-CA-C 108.818 -0.808 . . . . 0.0 108.818 175.348 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.46 ' HD3' ' OD1' ' A' ' 40' ' ' ASP . 5.1 ptm180 -64.57 -17.62 64.12 Favored 'General case' 0 C--N 1.321 -0.639 0 CA-C-N 114.997 -1.002 . . . . 0.0 112.495 -173.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 94.3 mttt -90.11 -28.77 18.76 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.614 0.245 . . . . 0.0 111.424 -175.857 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 29.3 p -96.26 -25.9 15.61 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.992 0.425 . . . . 0.0 110.677 176.17 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 86.2 24.48 40.36 Favored Glycine 0 N--CA 1.448 -0.519 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.526 176.965 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.1 ptm85 -131.64 155.45 47.55 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.071 0.462 . . . . 0.0 111.115 -179.248 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 11.5 t80 -99.73 115.38 29.38 Favored 'General case' 0 C--N 1.321 -0.642 0 N-CA-C 108.819 -0.808 . . . . 0.0 108.819 -177.653 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.421 ' O ' HD12 ' A' ' 29' ' ' ILE . 2.7 pp -125.48 150.95 31.02 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 121.144 0.497 . . . . 0.0 112.331 -170.364 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.484 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 29.0 m -86.88 150.64 3.76 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.532 0 CA-C-N 115.756 -0.656 . . . . 0.0 110.732 178.584 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.597 ' HE ' ' HA ' ' A' ' 31' ' ' ARG . 1.8 tpm_? -138.52 131.55 29.79 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 116.037 -0.529 . . . . 0.0 109.694 -178.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 29.4 t80 -87.29 -37.22 17.37 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 121.04 0.448 . . . . 0.0 110.157 -178.152 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 39.7 m -95.95 109.98 22.26 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.886 -0.597 . . . . 0.0 110.405 177.318 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 23.2 tt0 -61.54 -23.51 66.0 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 116.138 -0.483 . . . . 0.0 111.102 -177.958 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 25.6 t70 -75.23 -9.83 58.91 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-N 116.055 -0.52 . . . . 0.0 112.036 -176.661 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.492 ' HB2' ' HD3' ' A' ' 31' ' ' ARG . 20.6 m -78.49 58.49 2.2 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-O 121.189 0.519 . . . . 0.0 111.667 -176.255 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 13.9 p90 -143.54 168.85 18.89 Favored 'General case' 0 C--N 1.324 -0.531 0 N-CA-C 109.057 -0.72 . . . . 0.0 109.057 176.121 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.95 -146.24 5.44 Favored Glycine 0 N--CA 1.447 -0.579 0 C-N-CA 120.304 -0.951 . . . . 0.0 112.56 -178.89 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 85.5 mtp -87.76 -21.48 25.12 Favored 'General case' 0 C--N 1.323 -0.576 0 CA-C-O 121.217 0.532 . . . . 0.0 109.818 179.708 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.46 ' OD1' ' HD3' ' A' ' 23' ' ' ARG . 12.1 t70 -75.62 -41.56 54.02 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 115.586 -0.734 . . . . 0.0 110.134 178.387 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.6 t -84.75 128.25 39.12 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.499 0 CA-C-N 115.656 -0.702 . . . . 0.0 110.352 -178.616 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -76.57 145.68 38.84 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 116.2 -0.455 . . . . 0.0 111.022 -179.765 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -62.9 -35.46 80.13 Favored 'General case' 0 C--N 1.329 -0.288 0 CA-C-O 121.446 0.641 . . . . 0.0 109.705 -179.98 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.7 m-20 -68.8 -14.87 63.3 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 114.912 -1.04 . . . . 0.0 111.638 -176.154 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.7 t -76.26 -32.94 59.12 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.938 -0.393 . . . . 0.0 109.938 179.467 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.3 mt -73.47 107.8 4.37 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.259 -179.271 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.0 m -122.38 131.15 24.43 Favored Pre-proline 0 C--N 1.319 -0.751 0 CA-C-N 115.96 -0.564 . . . . 0.0 110.348 -178.434 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 45.0 Cg_exo -55.33 133.4 57.86 Favored 'Trans proline' 0 N--CA 1.462 -0.327 0 C-N-CA 122.117 1.878 . . . . 0.0 110.778 172.004 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.47 ' O ' HG13 ' A' ' 53' ' ' VAL . 7.1 t -58.72 -31.99 68.78 Favored 'General case' 0 C--N 1.326 -0.432 0 N-CA-C 111.691 0.256 . . . . 0.0 111.691 -176.447 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 p -73.68 -25.0 60.04 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-O 120.966 0.412 . . . . 0.0 111.216 178.244 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 44.8 tt0 -87.58 -21.15 25.55 Favored 'General case' 0 C--N 1.324 -0.522 0 CA-C-O 121.214 0.53 . . . . 0.0 110.016 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -77.02 -29.28 55.28 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.85 -0.613 . . . . 0.0 111.214 -178.427 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.47 HG13 ' O ' ' A' ' 49' ' ' THR . 13.0 m -79.39 -15.4 13.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.424 0 CA-C-O 120.829 0.347 . . . . 0.0 111.285 -176.213 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -102.3 116.94 33.69 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-O 121.173 0.511 . . . . 0.0 110.391 178.34 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 30.4 t -88.11 129.14 35.39 Favored 'General case' 0 C--N 1.318 -0.762 0 CA-C-N 115.562 -0.744 . . . . 0.0 109.7 -179.847 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.406 ' HA ' ' SD ' ' A' ' 62' ' ' MET . 21.2 m -85.55 121.51 28.35 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 116.103 -0.499 . . . . 0.0 110.278 -178.536 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.424 HG11 ' HD2' ' A' ' 63' ' ' ARG . 16.9 m -129.87 13.33 2.38 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.319 0 N-CA-C 112.764 0.653 . . . . 0.0 112.764 -173.762 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.436 ' HG2' ' CG ' ' A' ' 59' ' ' ASP . 38.3 ttt180 -168.62 -78.1 0.02 OUTLIER 'General case' 0 C--N 1.329 -0.294 0 CA-C-O 120.667 0.27 . . . . 0.0 111.344 177.428 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.436 ' CG ' ' HG2' ' A' ' 58' ' ' ARG . 2.9 p30 -161.03 -66.14 0.06 Allowed 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.972 0.415 . . . . 0.0 110.795 -176.732 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 19.6 t70 -105.91 -23.72 12.61 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 108.721 -0.844 . . . . 0.0 108.721 174.457 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.429 ' HA ' ' HB3' ' A' ' 102' ' ' GLN . 47.3 t -71.75 111.52 5.9 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.373 0 CA-C-N 115.001 -0.999 . . . . 0.0 110.875 179.088 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.406 ' SD ' ' HA ' ' A' ' 56' ' ' SER . 25.9 mmt -114.57 161.45 18.04 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.705 -0.68 . . . . 0.0 109.455 177.818 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.424 ' HD2' HG11 ' A' ' 57' ' ' VAL . 10.7 ptp180 -141.08 142.67 34.12 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 120.656 0.265 . . . . 0.0 110.54 175.141 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.9 OUTLIER -66.93 115.86 7.14 Favored 'General case' 0 C--N 1.324 -0.512 0 N-CA-C 109.516 -0.55 . . . . 0.0 109.516 -178.866 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.82 ' O ' ' HG3' ' A' ' 68' ' ' GLN . . . -86.21 110.89 3.53 Favored Glycine 0 C--O 1.218 -0.873 0 C-N-CA 120.695 -0.764 . . . . 0.0 111.673 -179.861 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 12.5 ptm180 -61.77 -15.13 38.66 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-N 117.12 0.46 . . . . 0.0 111.896 -176.143 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.1 pt-20 -67.47 -24.56 65.62 Favored 'General case' 0 C--N 1.328 -0.33 0 N-CA-C 112.046 0.387 . . . . 0.0 112.046 -178.718 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.82 ' HG3' ' O ' ' A' ' 65' ' ' GLY . 0.0 OUTLIER -64.14 -31.22 72.33 Favored 'General case' 0 N--CA 1.462 0.143 0 C-N-CA 120.621 -0.432 . . . . 0.0 110.271 178.26 . . . . . . . . 3 3 . 1 . 006 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.472 ' HG ' ' OE1' ' A' ' 68' ' ' GLN . 28.5 mt -61.97 -43.27 99.18 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.777 179.131 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.549 ' HA ' ' CD2' ' A' ' 73' ' ' LEU . 42.7 mt-30 -65.79 -33.18 75.26 Favored 'General case' 0 C--N 1.329 -0.309 0 CA-C-N 116.028 -0.533 . . . . 0.0 111.343 -176.338 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 64.8 mt -75.39 -45.09 41.24 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.744 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.699 177.107 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.658 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 61.8 mt -68.64 -30.05 68.68 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.176 -0.465 . . . . 0.0 112.201 -176.336 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.549 ' CD2' ' HA ' ' A' ' 70' ' ' GLN . 4.5 pp -63.15 -24.54 67.94 Favored 'General case' 0 N--CA 1.464 0.24 0 CA-C-O 120.741 0.305 . . . . 0.0 111.078 -178.929 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 26.3 mm-40 -64.06 -20.75 66.16 Favored 'General case' 0 C--O 1.234 0.238 0 CA-C-N 116.181 -0.463 . . . . 0.0 110.973 177.193 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -104.99 110.85 23.41 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-N 116.145 -0.479 . . . . 0.0 110.189 179.281 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.0 m120 -87.24 2.4 50.2 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.117 -0.492 . . . . 0.0 110.929 -175.913 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.3 pp -99.39 74.85 0.58 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.558 0 CA-C-N 116.198 -0.455 . . . . 0.0 111.588 -179.325 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 19.1 m120 -56.14 -35.04 66.7 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.188 -0.46 . . . . 0.0 111.762 -174.245 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 43.7 tt0 -65.11 -45.68 84.13 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.5 -0.318 . . . . 0.0 111.393 -179.655 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 7.1 ttp180 -82.07 -23.08 36.0 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.437 0.636 . . . . 0.0 110.111 -177.911 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 1.064 ' HG ' HD13 ' A' ' 83' ' ' ILE . 21.9 tp -74.72 -24.91 58.81 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.928 -1.033 . . . . 0.0 110.107 176.266 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.3 m-80 70.16 23.45 5.22 Favored 'General case' 0 N--CA 1.471 0.618 0 C-N-CA 123.316 0.646 . . . . 0.0 111.55 177.757 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 1.064 HD13 ' HG ' ' A' ' 81' ' ' LEU . 1.4 mp -86.35 139.13 17.84 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.455 0 CA-C-N 116.229 -0.441 . . . . 0.0 111.093 -178.763 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.578 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -71.94 157.55 53.07 Favored Glycine 0 N--CA 1.45 -0.369 0 CA-C-N 115.648 -0.706 . . . . 0.0 113.087 -177.217 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.505 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 47.3 mt-10 -65.84 -47.04 65.86 Favored Pre-proline 0 C--N 1.325 -0.497 0 N-CA-C 112.497 0.554 . . . . 0.0 112.497 -178.853 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.505 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 44.9 Cg_exo -58.68 -21.32 55.21 Favored 'Trans proline' 0 C--N 1.359 1.115 0 C-N-CA 122.005 1.803 . . . . 0.0 112.103 176.323 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.578 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.2 mm? -68.07 -35.32 78.0 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.827 -0.624 . . . . 0.0 110.257 178.554 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.595 ' O ' ' HG3' ' A' ' 92' ' ' ARG . 8.7 mp -68.1 -33.7 75.02 Favored 'General case' 0 C--N 1.332 -0.158 0 CA-C-N 116.237 -0.438 . . . . 0.0 109.906 175.263 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 59.7 t -64.76 -41.56 92.53 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.312 0 CA-C-N 115.899 -0.591 . . . . 0.0 110.632 -179.906 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.711 ' HB2' HD11 ' A' ' 8' ' ' ILE . 28.6 t80 -65.25 -32.43 74.1 Favored 'General case' 0 C--N 1.328 -0.347 0 CA-C-O 121.27 0.557 . . . . 0.0 110.527 179.965 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 7.6 tt -69.93 -26.13 63.99 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-N 115.613 -0.722 . . . . 0.0 110.76 179.548 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.595 ' HG3' ' O ' ' A' ' 88' ' ' LEU . 48.9 mtt180 -69.02 -46.72 67.26 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-N 116.174 -0.466 . . . . 0.0 110.723 -178.61 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.486 ' O ' HD11 ' A' ' 3' ' ' ILE . 7.0 ptm180 -161.58 157.08 24.18 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.114 -0.494 . . . . 0.0 109.991 -178.784 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.0 pm0 -95.74 163.91 12.98 Favored 'General case' 0 C--N 1.322 -0.612 0 CA-C-O 120.834 0.349 . . . . 0.0 110.428 -179.617 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.4 ' HB2' HG13 ' A' ' 3' ' ' ILE . 9.9 t70 -144.71 -58.46 0.36 Allowed 'General case' 0 C--N 1.323 -0.563 0 N-CA-C 109.403 -0.591 . . . . 0.0 109.403 175.596 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.401 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 90.9 mt -80.52 120.93 80.71 Favored Pre-proline 0 C--N 1.324 -0.516 0 CA-C-N 115.792 -0.64 . . . . 0.0 109.31 174.51 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.401 ' HD3' ' HA ' ' A' ' 96' ' ' LEU . 32.2 Cg_exo -58.44 -45.27 31.49 Favored 'Trans proline' 0 C--O 1.233 0.226 0 C-N-CA 122.732 2.288 . . . . 0.0 112.326 -178.012 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -137.28 109.71 7.41 Favored 'General case' 0 C--N 1.327 -0.386 0 CA-C-N 116.308 -0.405 . . . . 0.0 110.292 176.897 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 56.0 mt -83.23 106.28 13.76 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.44 0 CA-C-O 120.93 0.395 . . . . 0.0 109.944 175.877 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 11.0 p -109.82 143.28 39.91 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.948 -0.569 . . . . 0.0 111.27 -178.85 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -127.93 120.17 27.1 Favored 'General case' 0 C--N 1.319 -0.742 0 CA-C-N 115.689 -0.687 . . . . 0.0 109.518 177.75 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.429 ' HB3' ' HA ' ' A' ' 61' ' ' VAL . 13.5 pt20 -154.49 115.46 4.01 Favored 'General case' 0 C--N 1.32 -0.683 0 CA-C-O 121.176 0.513 . . . . 0.0 110.766 -175.11 . . . . . . . . 2 2 . 1 . 006 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 68.8 ttt180 -90.64 57.15 3.51 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-O 121.716 0.769 . . . . 0.0 109.247 -176.746 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 30.6 mm-40 -119.81 -57.94 1.92 Allowed 'General case' 0 C--N 1.325 -0.48 0 CA-C-N 115.189 -0.914 . . . . 0.0 111.12 -173.985 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 57.8 mt 63.02 34.84 13.58 Favored 'General case' 0 C--N 1.332 -0.188 0 CA-C-N 115.529 -0.759 . . . . 0.0 110.264 -175.798 . . . . . . . . 1 1 . 1 . 006 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 36.5 mmt180 . . . . . 0 C--O 1.247 0.948 0 CA-C-O 118.232 -0.89 . . . . 0.0 109.412 176.305 . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 25.9 mmt . . . . . 0 N--CA 1.478 0.961 0 N-CA-C 109.875 -0.417 . . . . 0.0 109.875 . . . . . . . . . 0 0 . 1 . 007 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 48.1 m -110.11 127.4 54.86 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.062 -0.517 . . . . 0.0 110.841 -177.208 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.1 mm -71.67 140.31 18.37 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 174.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.478 ' OG1' ' HB ' ' A' ' 8' ' ' ILE . 27.8 p -90.25 175.59 7.07 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.036 0.446 . . . . 0.0 111.858 -170.356 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.451 ' O ' HG22 ' A' ' 8' ' ' ILE . 9.6 t -75.44 -169.18 0.95 Allowed 'General case' 0 C--N 1.326 -0.424 0 CA-C-N 115.516 -0.766 . . . . 0.0 110.512 -178.387 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 15.2 m -49.86 -23.65 2.02 Favored 'General case' 0 CA--C 1.538 0.497 0 C-N-CA 123.628 0.771 . . . . 0.0 112.244 -176.42 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.419 ' HA ' ' OE1' ' A' ' 10' ' ' GLN . 4.0 m-20 -52.44 -26.99 14.21 Favored 'General case' 0 C--N 1.327 -0.378 0 C-N-CA 122.771 0.428 . . . . 0.0 111.652 176.448 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.688 HG13 ' HB2' ' A' ' 86' ' ' PRO . 20.0 tt -61.69 -47.45 93.28 Favored 'Isoleucine or valine' 0 CA--C 1.536 0.439 0 CA-C-N 116.478 -0.328 . . . . 0.0 111.451 -178.472 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.4 ' N ' HG23 ' A' ' 8' ' ' ILE . 24.2 p -75.73 -26.49 57.52 Favored 'General case' 0 C--N 1.331 -0.203 0 CA-C-O 120.999 0.428 . . . . 0.0 110.645 178.81 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . 0.419 ' OE1' ' HA ' ' A' ' 7' ' ' ASP . 97.0 mt-30 -68.36 -35.0 77.1 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 116.006 -0.543 . . . . 0.0 110.466 178.068 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -70.6 -18.74 62.88 Favored 'General case' 0 C--N 1.327 -0.413 0 CA-C-N 116.095 -0.502 . . . . 0.0 111.319 179.905 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.533 ' HA ' HD13 ' A' ' 15' ' ' LEU . . . -67.97 -17.82 64.55 Favored 'General case' 0 C--N 1.333 -0.145 0 CA-C-O 121.31 0.576 . . . . 0.0 110.526 178.069 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.8 t70 -74.61 -17.17 60.74 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.461 -0.791 . . . . 0.0 110.806 178.579 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -89.57 6.91 38.98 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-N 116.067 -0.515 . . . . 0.0 111.714 -176.364 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.533 HD13 ' HA ' ' A' ' 12' ' ' ALA . 11.0 mp -80.85 143.9 32.41 Favored 'General case' 0 C--N 1.326 -0.416 0 N-CA-C 109.901 -0.407 . . . . 0.0 109.901 176.425 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 18.5 ptpt -122.12 138.08 54.59 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-O 120.787 0.327 . . . . 0.0 110.759 -176.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 114.27 -178.83 18.39 Favored Glycine 0 N--CA 1.445 -0.728 0 C-N-CA 120.499 -0.858 . . . . 0.0 112.814 176.802 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 62.1 m-85 -126.15 160.31 30.54 Favored 'General case' 0 C--N 1.322 -0.628 0 N-CA-C 109.93 -0.396 . . . . 0.0 109.93 -178.346 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.591 HG12 ' CE2' ' A' ' 28' ' ' TYR . 3.7 t -133.69 128.03 53.58 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.218 -0.66 . . . . 0.0 109.218 178.329 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -148.65 172.24 28.87 Favored Glycine 0 N--CA 1.447 -0.574 0 C-N-CA 120.757 -0.735 . . . . 0.0 111.855 -176.966 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 72.9 t80 -90.7 130.83 36.66 Favored 'General case' 0 C--N 1.321 -0.674 0 CA-C-N 116.997 0.398 . . . . 0.0 110.886 -178.139 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.516 ' HB2' HG12 ' A' ' 29' ' ' ILE . 44.8 t-20 -110.28 103.38 12.04 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.505 -0.554 . . . . 0.0 109.505 178.339 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 20.2 ptp180 -71.75 -21.62 61.72 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 115.841 -0.618 . . . . 0.0 112.006 -175.475 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.417 ' O ' ' HD2' ' A' ' 24' ' ' LYS . 0.1 OUTLIER -67.82 -42.37 81.59 Favored 'General case' 0 C--N 1.327 -0.391 0 N-CA-C 109.703 -0.48 . . . . 0.0 109.703 -177.155 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.49 HG23 ' HG2' ' A' ' 27' ' ' ARG . 9.8 t -94.56 -14.55 24.92 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 116.297 -0.41 . . . . 0.0 110.655 177.408 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 77.71 40.16 22.99 Favored Glycine 0 N--CA 1.452 -0.242 0 C-N-CA 121.223 -0.513 . . . . 0.0 113.35 174.643 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.49 ' HG2' HG23 ' A' ' 25' ' ' THR . 9.7 ptp180 -154.29 169.12 24.43 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-N 116.995 0.398 . . . . 0.0 111.015 178.104 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.591 ' CE2' HG12 ' A' ' 19' ' ' VAL . 3.3 t80 -88.67 127.28 35.57 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 108.617 -0.883 . . . . 0.0 108.617 175.453 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.516 HG12 ' HB2' ' A' ' 22' ' ' ASN . 3.7 pt -128.59 165.33 28.43 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.554 0 CA-C-O 121.208 0.528 . . . . 0.0 111.565 -172.437 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.551 HG21 HD11 ' A' ' 77' ' ' ILE . 28.7 m -96.71 150.4 4.45 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.746 0 CA-C-N 115.483 -0.78 . . . . 0.0 109.83 171.662 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.61 ' HE ' ' HA ' ' A' ' 31' ' ' ARG . 0.1 OUTLIER -144.92 132.46 20.89 Favored 'General case' 0 C--N 1.316 -0.854 0 N-CA-C 108.827 -0.805 . . . . 0.0 108.827 177.735 . . . . . . . . 3 3 . 1 . 007 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 48.2 t80 -69.37 -30.39 68.38 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-O 120.806 0.336 . . . . 0.0 111.301 -173.891 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 42.1 t -136.08 146.57 47.19 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.49 179.927 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 47.7 mt-10 -69.34 -27.69 65.57 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-O 120.995 0.426 . . . . 0.0 110.313 177.026 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 21.0 t70 -72.24 -15.45 61.92 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.951 -0.568 . . . . 0.0 111.188 -178.38 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 18.1 m -77.16 6.16 7.05 Favored 'General case' 0 C--N 1.325 -0.459 0 N-CA-C 112.288 0.477 . . . . 0.0 112.288 -174.412 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 0.0 OUTLIER -88.0 -176.38 5.43 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-O 120.567 0.222 . . . . 0.0 111.114 178.945 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -130.72 -122.47 2.41 Favored Glycine 0 N--CA 1.447 -0.57 0 N-CA-C 111.295 -0.722 . . . . 0.0 111.295 175.141 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -104.4 12.58 33.26 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 108.825 -0.805 . . . . 0.0 108.825 173.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 0.3 OUTLIER -83.36 -68.84 0.68 Allowed 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 114.533 -1.212 . . . . 0.0 110.817 -179.789 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 9.4 p -102.84 139.64 23.26 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.644 0 CA-C-O 120.819 0.342 . . . . 0.0 110.568 -179.869 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -91.91 158.76 16.11 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 116.266 -0.425 . . . . 0.0 110.277 176.403 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.1 p-10 -58.91 -31.63 68.81 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.248 -0.433 . . . . 0.0 111.301 -177.814 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.1 t70 -69.98 -20.08 63.32 Favored 'General case' 0 C--N 1.328 -0.326 0 CA-C-O 121.293 0.568 . . . . 0.0 110.914 -179.889 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 7.8 t -95.0 12.75 27.34 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.275 0.559 . . . . 0.0 109.764 -179.1 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 62.4 mt -119.32 138.26 50.59 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.252 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.017 178.926 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 39.2 m -135.83 129.35 18.21 Favored Pre-proline 0 C--N 1.324 -0.511 0 CA-C-N 116.57 -0.287 . . . . 0.0 110.608 -179.484 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 18.8 Cg_endo -58.99 132.64 48.54 Favored 'Trans proline' 0 C--N 1.345 0.379 0 C-N-CA 122.519 2.146 . . . . 0.0 111.294 177.849 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.427 HG23 ' HB3' ' A' ' 15' ' ' LEU . 11.7 t -62.21 -25.51 67.84 Favored 'General case' 0 C--N 1.327 -0.38 0 N-CA-C 112.09 0.404 . . . . 0.0 112.09 -171.692 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 m -65.66 -35.67 81.46 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.057 0.456 . . . . 0.0 110.81 179.266 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.6 tt0 -103.13 -12.34 17.43 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.316 0.579 . . . . 0.0 110.275 -176.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 79.1 t80 -66.79 -27.58 67.7 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.47 -0.786 . . . . 0.0 111.319 -177.156 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.534 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 33.6 m -76.81 -5.56 7.7 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.507 0 CA-C-N 116.381 -0.372 . . . . 0.0 111.808 -176.998 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 92.9 m95 -101.45 116.68 33.33 Favored 'General case' 0 C--N 1.327 -0.407 0 CA-C-N 116.417 -0.356 . . . . 0.0 110.445 179.273 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 10.2 t -111.5 140.5 46.05 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 116.521 -0.309 . . . . 0.0 110.188 179.535 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 8.3 m -75.03 115.56 14.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 116.311 -0.404 . . . . 0.0 111.056 -176.479 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.414 HG11 ' HD3' ' A' ' 63' ' ' ARG . 28.2 m -122.6 -3.48 7.67 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.25 0 CA-C-O 120.899 0.38 . . . . 0.0 111.517 -178.672 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.571 HH21 HG21 ' A' ' 100' ' ' THR . 3.7 tpp180 -137.29 -163.19 1.39 Allowed 'General case' 0 C--N 1.325 -0.487 0 N-CA-C 109.343 -0.614 . . . . 0.0 109.343 179.135 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 37.5 t70 -56.51 -70.77 0.11 Allowed 'General case' 0 N--CA 1.466 0.329 0 O-C-N 123.264 0.352 . . . . 0.0 110.964 179.368 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 3.3 m-20 -126.05 19.83 7.66 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-O 121.547 0.689 . . . . 0.0 109.831 172.24 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.654 ' HA ' ' HA ' ' A' ' 102' ' ' GLN . 14.7 t -100.38 127.82 53.02 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.447 0 CA-C-N 115.398 -0.819 . . . . 0.0 109.928 178.767 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 65.8 mtt -109.46 160.41 16.23 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-N 116.105 -0.498 . . . . 0.0 109.692 178.737 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.45 ' HA ' ' O ' ' A' ' 99' ' ' ILE . 15.5 ptt180 -119.95 150.8 39.92 Favored 'General case' 0 C--N 1.32 -0.69 0 C-N-CA 120.72 -0.392 . . . . 0.0 110.373 177.99 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -72.27 109.88 6.31 Favored 'General case' 0 C--N 1.323 -0.576 0 N-CA-C 108.216 -1.031 . . . . 0.0 108.216 172.507 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -107.79 113.06 3.81 Favored Glycine 0 N--CA 1.442 -0.919 0 C-N-CA 120.628 -0.796 . . . . 0.0 111.912 -177.209 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.614 ' HB3' ' CD2' ' A' ' 90' ' ' TYR . 10.4 ptm180 -68.2 -15.47 63.59 Favored 'General case' 0 C--N 1.323 -0.547 0 O-C-N 122.596 -0.356 . . . . 0.0 111.524 179.154 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 8.9 pt-20 -56.54 -28.9 61.19 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.329 0.585 . . . . 0.0 110.327 175.989 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.534 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 9.1 mm-40 -72.51 -42.51 64.73 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.309 -0.859 . . . . 0.0 109.365 178.084 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.67 ' HB3' HD21 ' A' ' 91' ' ' LEU . 92.6 mt -67.5 -28.67 68.03 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-N 114.843 -1.071 . . . . 0.0 110.963 -178.573 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.578 ' HG2' ' O ' ' A' ' 66' ' ' ARG . 14.3 mm100 -60.31 -36.8 78.76 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-O 121.083 0.468 . . . . 0.0 109.759 178.157 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 56.1 mt -69.18 -35.08 66.45 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 115.928 -0.578 . . . . 0.0 110.054 177.499 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.635 HD12 HD23 ' A' ' 69' ' ' LEU . 64.2 mt -72.07 -38.88 69.34 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.734 -0.667 . . . . 0.0 110.957 -177.177 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.604 HD23 HD22 ' A' ' 91' ' ' LEU . 4.5 pp -70.47 -26.45 63.64 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-O 120.795 0.331 . . . . 0.0 110.168 178.108 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 66.0 mm-40 -66.79 -27.52 67.65 Favored 'General case' 0 C--N 1.331 -0.224 0 CA-C-N 116.228 -0.442 . . . . 0.0 110.447 174.349 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.522 ' HG3' HG13 ' A' ' 30' ' ' VAL . 31.5 mm-40 -69.67 -32.07 70.49 Favored 'General case' 0 C--N 1.329 -0.324 0 N-CA-C 109.544 -0.539 . . . . 0.0 109.544 176.058 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 20.9 t-20 69.85 13.14 8.02 Favored 'General case' 0 N--CA 1.472 0.63 0 CA-C-N 115.56 -0.745 . . . . 0.0 111.701 174.211 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.551 HD11 HG21 ' A' ' 30' ' ' VAL . 2.0 pp -112.99 54.01 0.17 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.579 0 CA-C-O 121.27 0.557 . . . . 0.0 111.53 178.845 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.553 ' HA ' HD13 ' A' ' 83' ' ' ILE . 59.5 m-80 -60.77 -27.44 67.98 Favored 'General case' 0 N--CA 1.463 0.221 0 CA-C-N 116.081 -0.509 . . . . 0.0 110.649 179.876 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 32.6 mt-10 -73.01 -28.1 62.17 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.833 -0.621 . . . . 0.0 110.872 178.998 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 28.5 tpt180 -79.23 -54.83 5.58 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.257 0.551 . . . . 0.0 110.814 179.079 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.427 HD23 HD11 ' A' ' 83' ' ' ILE . 12.0 tp -79.84 -19.7 47.75 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-N 115.215 -0.902 . . . . 0.0 111.158 -173.898 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 1.0 OUTLIER 67.12 63.81 0.45 Allowed 'General case' 0 N--CA 1.468 0.469 0 CA-C-N 115.714 -0.676 . . . . 0.0 111.755 178.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.553 HD13 ' HA ' ' A' ' 78' ' ' ASN . 3.0 mp -77.35 129.86 36.92 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.463 0 N-CA-C 109.213 -0.662 . . . . 0.0 109.213 174.761 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.589 ' HA3' HD23 ' A' ' 87' ' ' LEU . . . -62.87 160.67 33.77 Favored Glycine 0 N--CA 1.451 -0.322 0 CA-C-N 115.818 -0.628 . . . . 0.0 113.642 -174.423 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.464 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 37.8 mt-10 -64.23 -53.15 49.4 Favored Pre-proline 0 CA--C 1.537 0.471 0 CA-C-N 115.506 -0.347 . . . . 0.0 111.663 -177.05 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.688 ' HB2' HG13 ' A' ' 8' ' ' ILE . 25.8 Cg_endo -62.75 -18.53 64.77 Favored 'Trans proline' 0 C--N 1.357 1.013 0 C-N-CA 121.964 1.776 . . . . 0.0 112.104 177.884 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.589 HD23 ' HA3' ' A' ' 84' ' ' GLY . 3.9 mm? -69.9 -36.12 75.15 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.31 -0.404 . . . . 0.0 109.973 178.196 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.475 ' HA ' HD12 ' A' ' 91' ' ' LEU . 9.3 mp -67.64 -31.32 71.24 Favored 'General case' 0 C--N 1.333 -0.113 0 CA-C-O 121.033 0.444 . . . . 0.0 110.199 174.997 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 48.8 t -67.65 -38.37 80.29 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.378 0 CA-C-N 116.003 -0.544 . . . . 0.0 109.743 175.341 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.614 ' CD2' ' HB3' ' A' ' 66' ' ' ARG . 6.1 t80 -68.68 -23.61 64.41 Favored 'General case' 0 C--N 1.328 -0.355 0 CA-C-N 115.637 -0.711 . . . . 0.0 110.382 176.893 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.67 HD21 ' HB3' ' A' ' 69' ' ' LEU . 86.7 mt -71.22 -22.36 62.01 Favored 'General case' 0 C--N 1.33 -0.25 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.65 175.291 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.604 ' HE ' ' HA ' ' A' ' 92' ' ' ARG . 2.4 mmp_? -78.12 -62.39 1.69 Allowed 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 109.499 -0.556 . . . . 0.0 109.499 176.528 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 52.9 mtt180 -146.54 174.84 11.05 Favored 'General case' 0 C--N 1.326 -0.414 0 CA-C-N 115.641 -0.709 . . . . 0.0 110.773 179.958 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.4 pm0 -128.06 139.46 52.52 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.532 -0.758 . . . . 0.0 109.189 172.455 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 38.7 t70 -91.8 -33.7 14.87 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-O 121.288 0.566 . . . . 0.0 110.185 179.064 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.52 HD12 HG12 ' A' ' 99' ' ' ILE . 95.5 mt -101.97 139.51 20.38 Favored Pre-proline 0 C--N 1.322 -0.603 0 CA-C-N 115.657 -0.701 . . . . 0.0 109.653 177.238 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 19.6 Cg_endo -61.82 -20.93 71.04 Favored 'Trans proline' 0 C--O 1.235 0.333 0 C-N-CA 122.681 2.254 . . . . 0.0 111.673 178.072 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 9.0 pt-20 -173.91 125.31 0.36 Allowed 'General case' 0 N--CA 1.452 -0.351 0 CA-C-N 115.324 -0.853 . . . . 0.0 109.908 177.393 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.52 HG12 HD12 ' A' ' 96' ' ' LEU . 56.3 mt -91.17 104.61 15.64 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 N-CA-C 109.005 -0.739 . . . . 0.0 109.005 176.301 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.571 HG21 HH21 ' A' ' 58' ' ' ARG . 3.4 p -100.45 137.75 38.44 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 112.754 0.65 . . . . 0.0 112.754 -171.169 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -143.05 127.42 17.76 Favored 'General case' 0 C--N 1.325 -0.49 0 CA-C-N 115.154 -0.93 . . . . 0.0 109.696 175.593 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.654 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 27.3 pt20 -83.95 138.0 33.36 Favored 'General case' 0 C--N 1.321 -0.633 0 CA-C-O 120.843 0.354 . . . . 0.0 110.56 -179.315 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.406 HH11 ' HD3' ' A' ' 103' ' ' ARG . 15.3 mmm-85 -97.26 155.26 16.94 Favored 'General case' 0 C--N 1.323 -0.55 0 N-CA-C 109.854 -0.424 . . . . 0.0 109.854 178.404 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 20.1 mm-40 -79.36 126.15 30.44 Favored 'General case' 0 C--N 1.322 -0.627 0 CA-C-O 121.037 0.446 . . . . 0.0 110.713 -179.799 . . . . . . . . 1 1 . 1 . 007 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -78.62 -4.41 48.77 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-O 121.413 0.625 . . . . 0.0 110.331 176.782 . . . . . . . . 2 2 . 1 . 007 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 38.4 ttm180 . . . . . 0 C--O 1.243 0.728 0 CA-C-N 115.423 -0.808 . . . . 0.0 109.572 178.713 . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 27.3 ttt . . . . . 0 N--CA 1.482 1.174 0 CA-C-O 120.753 0.311 . . . . 0.0 110.182 . . . . . . . . . 0 0 . 1 . 008 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 12.5 p -69.76 159.82 32.84 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 116.12 -0.491 . . . . 0.0 111.066 -177.625 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.839 HG13 ' HB2' ' A' ' 95' ' ' ASP . 38.8 mm -97.72 152.16 4.17 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.687 0 N-CA-C 109.247 -0.649 . . . . 0.0 109.247 178.856 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.2 p -92.12 -176.39 4.37 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 120.98 0.419 . . . . 0.0 111.322 -176.765 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 46.7 m -85.55 -169.58 2.71 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.872 -178.728 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.5 m -50.51 -23.86 2.78 Favored 'General case' 0 N--CA 1.468 0.446 0 N-CA-C 113.06 0.763 . . . . 0.0 113.06 -173.386 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 25.7 m-20 -54.61 -19.99 7.14 Favored 'General case' 0 N--CA 1.468 0.449 0 C-N-CA 122.461 0.304 . . . . 0.0 111.696 177.901 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.663 HD11 ' HB2' ' A' ' 90' ' ' TYR . 13.5 tt -52.87 -43.42 46.16 Favored 'Isoleucine or valine' 0 CA--C 1.537 0.445 0 CA-C-N 116.099 -0.501 . . . . 0.0 111.988 -179.49 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.454 ' HB3' HG21 ' A' ' 99' ' ' ILE . 28.2 p -75.45 -29.27 59.61 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-O 121.025 0.441 . . . . 0.0 110.697 -179.931 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 75.4 mm-40 -68.36 -34.71 76.56 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 116.129 -0.487 . . . . 0.0 110.514 -178.73 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.84 -28.66 68.53 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.953 -0.567 . . . . 0.0 110.984 178.38 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.728 ' HB2' HD11 ' A' ' 87' ' ' LEU . . . -70.71 -29.71 66.07 Favored 'General case' 0 C--N 1.329 -0.306 0 CA-C-O 121.108 0.48 . . . . 0.0 110.626 179.003 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 30.4 t70 -76.66 -18.92 58.28 Favored 'General case' 0 C--N 1.324 -0.53 0 CA-C-N 115.884 -0.598 . . . . 0.0 110.496 179.018 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.69 9.21 35.91 Favored 'General case' 0 C--N 1.326 -0.416 0 CA-C-N 115.859 -0.61 . . . . 0.0 111.759 -176.57 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.1 mt -70.55 153.08 43.27 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.876 0.369 . . . . 0.0 110.62 179.077 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.5 ptmt -113.24 158.41 20.53 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.397 -0.365 . . . . 0.0 111.131 -177.44 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 97.47 153.65 29.29 Favored Glycine 0 N--CA 1.447 -0.589 0 C-N-CA 120.628 -0.796 . . . . 0.0 113.152 175.869 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.625 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 77.0 m-85 -111.38 155.72 22.68 Favored 'General case' 0 C--N 1.322 -0.613 0 N-CA-C 109.344 -0.613 . . . . 0.0 109.344 177.936 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.442 HG22 HG12 ' A' ' 30' ' ' VAL . 2.8 t -120.66 131.89 71.62 Favored 'Isoleucine or valine' 0 C--N 1.316 -0.875 0 N-CA-C 108.89 -0.782 . . . . 0.0 108.89 175.997 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -129.99 139.65 11.12 Favored Glycine 0 N--CA 1.444 -0.814 0 C-N-CA 120.612 -0.804 . . . . 0.0 112.7 -175.964 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.538 ' HB3' ' HB3' ' A' ' 45' ' ' SER . 78.6 t80 -80.83 103.21 10.52 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.098 0.475 . . . . 0.0 110.137 178.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.574 ' HA ' HG22 ' A' ' 41' ' ' VAL . 26.0 t-20 -93.9 128.9 40.45 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-N 115.777 -0.647 . . . . 0.0 110.234 -178.695 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 19.5 ptp180 -86.89 -7.73 57.92 Favored 'General case' 0 C--N 1.33 -0.267 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 -174.189 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 31.7 mmmt -80.19 -28.33 38.71 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-O 121.087 0.47 . . . . 0.0 109.783 176.74 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 15.6 p -105.22 -16.88 14.65 Favored 'General case' 0 C--N 1.323 -0.545 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.555 175.783 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 67.81 35.07 84.44 Favored Glycine 0 N--CA 1.451 -0.365 0 CA-C-N 115.585 -0.734 . . . . 0.0 112.416 178.219 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.481 ' HG3' HG23 ' A' ' 29' ' ' ILE . 11.0 ptp180 -154.19 170.03 22.18 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-O 121.2 0.524 . . . . 0.0 111.862 -175.027 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.0 OUTLIER -92.0 105.74 17.92 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-N 115.164 -0.925 . . . . 0.0 109.556 -178.345 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.481 HG23 ' HG3' ' A' ' 27' ' ' ARG . 2.6 pp -117.43 156.76 18.8 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.331 0 CA-C-O 120.875 0.369 . . . . 0.0 111.745 -174.602 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.442 HG12 HG22 ' A' ' 19' ' ' VAL . 23.3 m -91.41 138.99 18.52 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-O 121.271 0.558 . . . . 0.0 112.197 -174.915 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.572 ' HG3' ' CZ ' ' A' ' 37' ' ' PHE . 12.0 mmt85 -149.24 131.94 15.93 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-N 115.277 -0.874 . . . . 0.0 109.197 176.932 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 77.6 t80 -79.64 -40.47 29.13 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-O 121.338 0.59 . . . . 0.0 109.555 176.991 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 7.2 p -93.77 102.92 15.08 Favored 'General case' 0 N--CA 1.445 -0.69 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.4 176.926 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.495 ' HB3' HG21 ' A' ' 46' ' ' ILE . 0.0 OUTLIER -70.38 -15.54 62.86 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.212 -0.449 . . . . 0.0 111.057 177.846 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 8.4 p-10 -80.25 3.73 19.92 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.052 -0.522 . . . . 0.0 111.226 -179.237 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 62.4 p -84.1 -5.89 59.31 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 120.99 0.424 . . . . 0.0 110.83 -179.298 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.572 ' CZ ' ' HG3' ' A' ' 31' ' ' ARG . 65.9 m-85 -107.62 173.22 6.42 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 116.072 -0.513 . . . . 0.0 109.968 177.862 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -135.92 -93.71 0.4 Allowed Glycine 0 N--CA 1.446 -0.651 0 C-N-CA 120.482 -0.866 . . . . 0.0 112.175 178.361 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 66.3 mtt -110.64 7.05 22.18 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-O 121.296 0.569 . . . . 0.0 109.851 179.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 15.4 p-10 -91.15 -12.56 35.09 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.356 -0.838 . . . . 0.0 110.695 179.838 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.574 HG22 ' HA ' ' A' ' 22' ' ' ASN . 92.8 t -140.09 122.59 16.47 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.551 0 CA-C-N 116.098 -0.501 . . . . 0.0 110.256 179.477 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -70.22 149.97 46.93 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.258 -0.428 . . . . 0.0 110.318 178.05 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 31.2 t70 -65.5 -39.11 91.5 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.884 0.373 . . . . 0.0 111.167 -176.846 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 3.2 m-20 -71.15 -10.7 60.2 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.011 -0.541 . . . . 0.0 110.838 179.689 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.538 ' HB3' ' HB3' ' A' ' 21' ' ' PHE . 19.8 m -92.57 3.84 54.75 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.989 -0.55 . . . . 0.0 110.438 178.125 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.495 HG21 ' HB3' ' A' ' 34' ' ' GLU . 67.1 mt -113.77 118.48 58.42 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.334 0 N-CA-C 109.443 -0.577 . . . . 0.0 109.443 176.017 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 94.3 m -141.07 132.91 13.86 Favored Pre-proline 0 C--N 1.322 -0.63 0 CA-C-N 116.52 -0.309 . . . . 0.0 110.822 -177.893 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.625 ' HA ' ' HA ' ' A' ' 18' ' ' PHE . 12.8 Cg_endo -56.04 136.34 74.45 Favored 'Trans proline' 0 C--N 1.348 0.508 0 C-N-CA 123.001 2.467 . . . . 0.0 111.682 177.651 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.537 ' O ' HG13 ' A' ' 53' ' ' VAL . 14.5 t -64.46 -28.2 69.51 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.863 0.364 . . . . 0.0 110.686 -176.641 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.8 p -71.45 -13.38 61.81 Favored 'General case' 0 C--N 1.33 -0.269 0 CA-C-N 116.275 -0.421 . . . . 0.0 111.468 179.507 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 37.1 tt0 -103.64 -30.66 10.32 Favored 'General case' 0 C--N 1.326 -0.435 0 N-CA-C 109.585 -0.524 . . . . 0.0 109.585 175.122 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 71.3 t80 -63.85 -27.63 69.3 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.576 -0.738 . . . . 0.0 110.695 179.988 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.537 HG13 ' O ' ' A' ' 49' ' ' THR . 31.3 m -73.81 -9.7 13.16 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.323 0 CA-C-N 116.189 -0.46 . . . . 0.0 110.971 178.062 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 98.5 m95 -105.58 140.8 38.1 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 121.059 0.457 . . . . 0.0 110.076 176.972 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.653 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . 17.1 m -103.81 96.97 7.05 Favored 'General case' 0 C--N 1.313 -1.014 0 N-CA-C 108.749 -0.834 . . . . 0.0 108.749 172.326 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 5.7 t -65.01 115.71 5.69 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 116.053 -0.522 . . . . 0.0 109.878 -178.542 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 31.5 m -114.67 -24.24 3.84 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.518 0 CA-C-N 116.488 -0.324 . . . . 0.0 111.274 -178.661 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 3.9 ttm180 -153.14 176.79 11.53 Favored 'General case' 0 C--N 1.326 -0.456 0 N-CA-C 109.792 -0.447 . . . . 0.0 109.792 -177.812 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 0.9 OUTLIER -66.75 -36.79 83.27 Favored 'General case' 0 C--N 1.329 -0.318 0 N-CA-C 111.782 0.29 . . . . 0.0 111.782 -173.331 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.449 ' OD2' ' HB2' ' A' ' 102' ' ' GLN . 33.1 t70 -116.18 -15.69 11.05 Favored 'General case' 0 C--N 1.324 -0.54 0 CA-C-O 121.386 0.613 . . . . 0.0 110.531 -179.022 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 7.5 t -97.14 108.83 22.14 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.691 0 CA-C-N 115.536 -0.756 . . . . 0.0 111.014 -175.067 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 4.3 mpp? -118.66 133.61 55.73 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-N 116.131 -0.486 . . . . 0.0 109.891 174.813 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.653 ' HG3' ' HB2' ' A' ' 55' ' ' SER . 13.2 ptm180 -107.86 142.91 37.2 Favored 'General case' 0 C--N 1.32 -0.681 0 N-CA-C 110.028 -0.36 . . . . 0.0 110.028 178.634 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 64' ' ' LEU . 1.0 OUTLIER -71.48 116.96 12.44 Favored 'General case' 0 C--N 1.324 -0.516 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 178.489 . . . . . . . . 3 3 . 1 . 008 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -82.33 92.38 1.58 Allowed Glycine 0 N--CA 1.442 -0.953 0 C-N-CA 120.881 -0.676 . . . . 0.0 111.915 -178.42 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 34.2 ptt180 -60.48 -15.07 23.28 Favored 'General case' 0 C--N 1.322 -0.619 0 N-CA-C 112.252 0.464 . . . . 0.0 112.252 -177.767 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 1.7 pm0 -66.83 -23.67 66.07 Favored 'General case' 0 CA--C 1.535 0.388 0 N-CA-C 111.862 0.319 . . . . 0.0 111.862 176.459 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.404 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 1.4 pp0? -57.18 -32.75 66.77 Favored 'General case' 0 N--CA 1.471 0.583 0 CA-C-O 120.888 0.375 . . . . 0.0 110.994 -179.534 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.491 HD13 ' HA ' ' A' ' 91' ' ' LEU . 37.3 mt -58.29 -42.64 87.08 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.58 -0.736 . . . . 0.0 111.007 -175.631 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.6 mm100 -64.46 -38.75 92.11 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.905 -0.589 . . . . 0.0 111.436 -177.129 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 60.0 mt -74.25 -34.45 37.44 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 116.395 -0.366 . . . . 0.0 110.831 -177.43 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.404 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 26.9 mt -75.08 -39.27 60.91 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 116.526 -0.306 . . . . 0.0 111.337 -179.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 pp -67.68 -25.44 65.69 Favored 'General case' 0 C--N 1.331 -0.2 0 N-CA-C 111.769 0.285 . . . . 0.0 111.769 -176.311 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 46.4 mt-10 -80.9 -9.45 59.83 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-O 120.82 0.343 . . . . 0.0 111.429 178.824 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 78.8 mt-30 -80.82 -30.56 35.81 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 116.611 -0.268 . . . . 0.0 110.673 178.643 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.1 m120 75.95 -30.19 0.19 Allowed 'General case' 0 N--CA 1.471 0.624 0 C-N-CA 123.753 0.821 . . . . 0.0 112.156 175.006 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.689 ' HB ' ' HB2' ' A' ' 80' ' ' ARG . 2.2 pp -86.34 63.42 0.38 Allowed 'Isoleucine or valine' 0 N--CA 1.447 -0.594 0 CA-C-O 121.752 0.787 . . . . 0.0 112.836 -170.846 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 42.4 t30 -59.42 -35.23 73.6 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 115.54 -0.755 . . . . 0.0 110.594 178.351 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 14.3 tp10 -62.3 -28.22 69.58 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-O 121.305 0.574 . . . . 0.0 110.746 178.221 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.689 ' HB2' ' HB ' ' A' ' 77' ' ' ILE . 80.3 mtt180 -87.14 -42.14 13.25 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 115.548 -0.751 . . . . 0.0 112.431 -174.92 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 41.3 tp -95.05 -28.78 14.94 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 120.691 0.281 . . . . 0.0 111.346 -176.687 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 17.0 m120 64.73 86.57 0.12 Allowed 'General case' 0 C--N 1.331 -0.225 0 CA-C-N 115.752 -0.658 . . . . 0.0 111.619 -178.081 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . . . . . . . . . 2.4 mp -84.38 133.3 29.57 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.543 0 CA-C-N 115.419 -0.81 . . . . 0.0 109.285 176.829 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.441 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -56.55 150.11 27.03 Favored Glycine 0 C--N 1.331 0.27 0 CA-C-N 116.132 -0.486 . . . . 0.0 113.4 -176.417 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.562 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 38.3 tt0 -63.89 -48.4 78.81 Favored Pre-proline 0 C--N 1.324 -0.52 0 N-CA-C 111.519 0.192 . . . . 0.0 111.519 -178.387 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.562 ' HD3' ' HB3' ' A' ' 85' ' ' GLU . 31.4 Cg_exo -63.49 -17.6 60.73 Favored 'Trans proline' 0 C--N 1.358 1.028 0 C-N-CA 121.728 1.619 . . . . 0.0 111.757 175.294 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.728 HD11 ' HB2' ' A' ' 12' ' ' ALA . 3.8 mm? -80.09 -33.94 38.38 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-N 115.977 -0.556 . . . . 0.0 109.623 178.059 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.421 ' O ' ' HG2' ' A' ' 92' ' ' ARG . 96.6 mt -63.91 -39.43 94.17 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.618 178.091 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 22.8 m -76.01 -33.75 25.6 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.219 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.85 179.667 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.663 ' HB2' HD11 ' A' ' 8' ' ' ILE . 15.8 t80 -63.89 -36.95 85.6 Favored 'General case' 0 C--N 1.333 -0.144 0 CA-C-O 121.178 0.513 . . . . 0.0 110.146 177.58 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.491 ' HA ' HD13 ' A' ' 69' ' ' LEU . 9.9 tt -64.65 -32.86 74.7 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.38 -0.827 . . . . 0.0 110.161 178.094 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.421 ' HG2' ' O ' ' A' ' 88' ' ' LEU . 18.4 mmm180 -74.5 -50.02 19.82 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 116.115 -0.493 . . . . 0.0 110.897 -178.55 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 23.2 ptt180 -152.56 132.43 13.29 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.154 0.502 . . . . 0.0 110.309 176.998 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 78.2 mt-30 -86.11 101.72 13.22 Favored 'General case' 0 C--N 1.321 -0.651 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.131 -177.858 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.839 ' HB2' HG13 ' A' ' 3' ' ' ILE . 33.8 t70 -74.54 -32.22 62.39 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 115.724 -0.671 . . . . 0.0 110.084 178.182 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.6 mp -115.16 114.21 43.44 Favored Pre-proline 0 C--N 1.324 -0.518 0 N-CA-C 108.878 -0.786 . . . . 0.0 108.878 174.862 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 50.6 Cg_exo -53.49 -57.84 1.74 Allowed 'Trans proline' 0 C--N 1.343 0.286 0 C-N-CA 123.053 2.502 . . . . 0.0 112.88 -176.066 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 38.6 mt-10 -133.35 100.97 4.99 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-O 120.884 0.373 . . . . 0.0 110.183 -179.355 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.454 HG21 ' HB3' ' A' ' 9' ' ' CYS . 54.4 mt -80.43 115.6 23.2 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.596 0 CA-C-N 116.143 -0.48 . . . . 0.0 110.631 -178.624 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.7 p -109.96 133.19 53.44 Favored 'General case' 0 C--N 1.321 -0.635 0 CA-C-O 121.092 0.472 . . . . 0.0 111.118 177.981 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -121.95 139.22 53.93 Favored 'General case' 0 C--N 1.323 -0.575 0 CA-C-N 115.855 -0.611 . . . . 0.0 110.499 -179.897 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.449 ' HB2' ' OD2' ' A' ' 60' ' ' ASP . 7.9 pt20 -153.56 149.52 27.73 Favored 'General case' 0 C--N 1.323 -0.582 0 N-CA-C 109.2 -0.667 . . . . 0.0 109.2 179.966 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.638 ' O ' ' HG2' ' A' ' 104' ' ' GLN . 4.1 mmp_? -109.11 -19.9 13.19 Favored 'General case' 0 C--N 1.325 -0.497 0 N-CA-C 111.798 0.296 . . . . 0.0 111.798 -173.661 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.638 ' HG2' ' O ' ' A' ' 103' ' ' ARG . 3.2 pt20 66.59 146.67 0.04 OUTLIER 'General case' 0 N--CA 1.471 0.616 0 C-N-CA 124.352 1.061 . . . . 0.0 111.21 -178.141 . . . . . . . . 2 2 . 1 . 008 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 29.0 tp -124.27 15.22 9.04 Favored 'General case' 0 C--N 1.322 -0.591 0 CA-C-O 121.489 0.661 . . . . 0.0 109.449 178.335 . . . . . . . . 1 1 . 1 . 008 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.418 HH11 ' HD3' ' A' ' 106' ' ' ARG . 8.4 tpt180 . . . . . 0 C--O 1.246 0.888 0 CA-C-O 118.498 -0.763 . . . . 0.0 109.693 179.267 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 85.3 mtp . . . . . 0 N--CA 1.483 1.225 0 CA-C-O 120.658 0.266 . . . . 0.0 110.776 . . . . . . . . . 0 0 . 1 . 009 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 21.9 m -80.07 -178.72 6.66 Favored 'General case' 0 C--N 1.328 -0.348 0 N-CA-C 109.996 -0.372 . . . . 0.0 109.996 174.501 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 43.7 mm -68.73 147.93 11.98 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.382 0 N-CA-C 109.806 -0.442 . . . . 0.0 109.806 179.592 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.552 ' OG1' ' HB3' ' A' ' 86' ' ' PRO . 40.7 p -91.45 -175.08 4.11 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-O 120.951 0.405 . . . . 0.0 111.524 -174.262 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 37.4 m -77.17 -169.73 1.46 Allowed 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.831 -0.622 . . . . 0.0 111.102 179.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 3.7 m -50.93 -21.77 1.91 Allowed 'General case' 0 CA--C 1.539 0.554 0 C-N-CA 123.843 0.857 . . . . 0.0 112.546 -178.01 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 11.7 m-20 -51.84 -21.78 3.18 Favored 'General case' 0 N--CA 1.47 0.54 0 C-N-CA 122.61 0.364 . . . . 0.0 111.807 176.263 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.73 HG13 ' HB2' ' A' ' 86' ' ' PRO . 18.9 tt -57.57 -38.56 64.63 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 120.92 0.391 . . . . 0.0 110.871 178.02 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 50.5 m -75.87 -30.72 58.97 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.084 0.469 . . . . 0.0 110.579 177.184 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -73.22 -42.51 62.53 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.087 -177.353 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -62.98 -27.56 69.49 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-N 116.253 -0.43 . . . . 0.0 111.069 179.904 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.538 ' HB1' HG21 ' A' ' 53' ' ' VAL . . . -65.87 -20.96 66.41 Favored 'General case' 0 C--N 1.33 -0.259 0 CA-C-N 116.262 -0.426 . . . . 0.0 111.163 178.754 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -80.44 -22.19 41.4 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 116.123 -0.49 . . . . 0.0 110.462 179.277 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -78.73 -10.0 59.62 Favored 'General case' 0 C--O 1.234 0.284 0 CA-C-N 116.132 -0.486 . . . . 0.0 111.682 -175.954 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.615 ' O ' ' HB2' ' A' ' 50' ' ' SER . 10.4 mp -67.85 120.22 13.8 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.386 -0.37 . . . . 0.0 110.29 177.565 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 22.3 pttm -116.65 151.38 36.41 Favored 'General case' 0 C--N 1.322 -0.622 0 CA-C-O 120.901 0.381 . . . . 0.0 110.497 177.654 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 128.68 147.62 6.48 Favored Glycine 0 N--CA 1.445 -0.734 0 N-CA-C 110.846 -0.902 . . . . 0.0 110.846 -174.51 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.545 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 56.2 m-85 -111.3 126.0 54.44 Favored 'General case' 0 C--N 1.32 -0.696 0 N-CA-C 109.85 -0.426 . . . . 0.0 109.85 -176.9 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 11.0 t -94.63 124.8 47.26 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.778 0 N-CA-C 109.848 -0.427 . . . . 0.0 109.848 -177.587 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.32 148.39 20.09 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.936 -0.649 . . . . 0.0 111.82 -177.764 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 69.5 t80 -85.23 118.34 24.72 Favored 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 110.058 -0.349 . . . . 0.0 110.058 -179.497 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.541 ' OD1' ' HG2' ' A' ' 24' ' ' LYS . 46.3 t-20 -93.62 122.88 36.52 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.074 0.464 . . . . 0.0 110.166 -179.209 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 7.6 ptp180 -64.38 -32.0 73.44 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 115.533 -0.758 . . . . 0.0 112.937 -175.484 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.541 ' HG2' ' OD1' ' A' ' 22' ' ' ASN . 18.3 ptpt -87.37 -16.63 34.42 Favored 'General case' 0 C--N 1.33 -0.254 0 C-N-CA 120.458 -0.497 . . . . 0.0 112.037 -173.298 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.486 ' OG1' ' HB3' ' A' ' 22' ' ' ASN . 25.4 p -105.66 -26.13 11.96 Favored 'General case' 0 C--N 1.324 -0.524 0 CA-C-O 121.045 0.45 . . . . 0.0 110.675 176.878 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.09 20.95 71.84 Favored Glycine 0 N--CA 1.447 -0.62 0 C-N-CA 120.984 -0.627 . . . . 0.0 112.112 177.973 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 17.9 mmm180 -122.82 149.93 43.51 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 120.934 0.397 . . . . 0.0 110.953 -177.956 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -88.48 96.59 10.67 Favored 'General case' 0 C--N 1.324 -0.509 0 N-CA-C 107.536 -1.283 . . . . 0.0 107.536 171.58 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.4 pp -117.39 179.17 1.77 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.42 0 N-CA-C 112.318 0.488 . . . . 0.0 112.318 -167.1 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 7.8 p -100.7 131.4 48.37 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.445 0 CA-C-O 121.61 0.719 . . . . 0.0 111.221 -176.605 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.7 mmm180 -125.71 136.5 53.26 Favored 'General case' 0 C--N 1.318 -0.788 0 CA-C-N 115.175 -0.92 . . . . 0.0 109.362 175.732 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 99.3 m-85 -90.73 4.17 52.29 Favored 'General case' 0 C--N 1.32 -0.681 0 CA-C-O 121.274 0.559 . . . . 0.0 110.136 178.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 19.9 m -132.32 122.12 24.61 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-N 115.499 -0.773 . . . . 0.0 110.475 -179.026 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 20.8 mt-10 -69.44 -41.2 76.6 Favored 'General case' 0 C--N 1.325 -0.464 0 CA-C-O 121.394 0.616 . . . . 0.0 110.455 -179.859 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.1 t70 -85.56 21.91 1.7 Allowed 'General case' 0 C--N 1.325 -0.464 0 CA-C-N 115.368 -0.833 . . . . 0.0 111.107 -173.562 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 37.5 p -77.85 -11.58 59.9 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.31 0.576 . . . . 0.0 110.062 176.878 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 92.5 m-85 -126.35 140.92 52.12 Favored 'General case' 0 N--CA 1.45 -0.448 0 CA-C-N 115.439 -0.801 . . . . 0.0 108.963 174.392 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -96.3 -93.22 1.81 Allowed Glycine 0 N--CA 1.45 -0.376 0 C-N-CA 120.427 -0.892 . . . . 0.0 111.404 -179.48 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 26.6 ptm -102.36 11.77 37.57 Favored 'General case' 0 C--N 1.321 -0.662 0 N-CA-C 108.965 -0.754 . . . . 0.0 108.965 174.439 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 5.8 m-20 -66.28 -60.53 2.69 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 114.975 -1.011 . . . . 0.0 110.629 -179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 39.7 t -114.37 135.26 54.7 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.605 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.529 -174.965 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.12 136.03 56.89 Favored 'General case' 0 C--N 1.325 -0.494 0 CA-C-N 116.216 -0.447 . . . . 0.0 110.234 176.364 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 3.0 p30 -68.16 -14.95 63.37 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 116.576 -0.284 . . . . 0.0 111.209 -175.856 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 29.7 t70 -68.8 -29.28 67.61 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 121.0 0.428 . . . . 0.0 110.509 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 27.6 t -84.62 -24.71 29.0 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.013 -0.54 . . . . 0.0 110.501 -179.493 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 61.4 mt -85.87 99.89 8.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.381 0 CA-C-O 121.018 0.437 . . . . 0.0 110.123 178.81 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 40.5 m -121.55 129.19 25.31 Favored Pre-proline 0 C--N 1.319 -0.735 0 CA-C-N 116.268 -0.424 . . . . 0.0 111.018 -177.596 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.545 ' HA ' ' HA ' ' A' ' 18' ' ' PHE . 16.4 Cg_endo -58.72 135.53 67.77 Favored 'Trans proline' 0 C--N 1.344 0.33 0 C-N-CA 122.586 2.191 . . . . 0.0 110.858 173.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.45 HG23 ' HB3' ' A' ' 15' ' ' LEU . 7.1 t -60.1 -30.76 69.46 Favored 'General case' 0 C--N 1.327 -0.384 0 N-CA-C 112.01 0.374 . . . . 0.0 112.01 -173.655 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.615 ' HB2' ' O ' ' A' ' 15' ' ' LEU . 31.4 t -62.65 -36.53 83.12 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.156 0.503 . . . . 0.0 110.427 177.533 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 30.3 tt0 -95.42 -1.04 51.79 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.394 0.616 . . . . 0.0 110.091 -177.568 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 55.7 t80 -90.66 -31.68 16.52 Favored 'General case' 0 C--N 1.322 -0.604 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.658 -176.575 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.538 HG21 ' HB1' ' A' ' 12' ' ' ALA . 9.0 m -84.37 -7.94 11.06 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 116.277 -0.42 . . . . 0.0 111.017 -177.491 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 97.0 m95 -107.13 125.01 50.53 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.561 177.53 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 64.8 m -125.21 108.84 12.16 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.701 179.226 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.516 ' HA ' ' HA ' ' A' ' 62' ' ' MET . 35.3 m -64.86 115.89 5.79 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-O 120.984 0.421 . . . . 0.0 110.704 178.445 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.2 m -107.46 2.63 9.93 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.425 0 CA-C-N 116.184 -0.462 . . . . 0.0 111.007 -178.387 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.417 ' HB3' ' HB ' ' A' ' 61' ' ' VAL . 9.2 ttp180 -152.08 -172.15 4.14 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 108.738 -0.838 . . . . 0.0 108.738 178.639 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 29.8 t70 -53.42 -55.31 26.13 Favored 'General case' 0 N--CA 1.464 0.261 0 CA-C-O 120.852 0.358 . . . . 0.0 111.553 -177.757 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 27.3 t70 -122.22 -22.34 5.62 Favored 'General case' 0 C--N 1.323 -0.564 0 CA-C-O 121.047 0.451 . . . . 0.0 110.928 179.495 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.541 HG22 ' HB3' ' A' ' 102' ' ' GLN . 32.6 t -71.83 126.17 31.78 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.523 0 CA-C-N 115.912 -0.586 . . . . 0.0 111.211 -177.029 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.516 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 68.9 mtm -111.83 146.81 37.01 Favored 'General case' 0 C--N 1.326 -0.431 0 CA-C-N 115.818 -0.628 . . . . 0.0 110.745 -177.912 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.594 ' HD2' ' OE1' ' A' ' 98' ' ' GLU . 13.5 tpp180 -101.98 139.6 37.39 Favored 'General case' 0 C--N 1.321 -0.657 0 CA-C-N 115.732 -0.667 . . . . 0.0 109.63 178.423 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.417 HD22 ' HA ' ' A' ' 64' ' ' LEU . 0.9 OUTLIER -80.19 115.27 19.66 Favored 'General case' 0 C--N 1.324 -0.517 0 N-CA-C 108.533 -0.914 . . . . 0.0 108.533 174.258 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.642 ' O ' ' HG3' ' A' ' 68' ' ' GLN . . . -68.43 111.19 3.82 Favored Glycine 0 C--O 1.22 -0.759 0 C-N-CA 121.121 -0.561 . . . . 0.0 112.551 -177.804 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.0 OUTLIER -72.9 -22.68 60.71 Favored 'General case' 0 C--N 1.315 -0.919 0 O-C-N 122.297 -0.531 . . . . 0.0 110.626 171.022 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 9.3 pt-20 -70.37 -24.85 63.03 Favored 'General case' 0 CA--C 1.533 0.289 0 CA-C-N 115.657 -0.701 . . . . 0.0 112.741 -174.766 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.642 ' HG3' ' O ' ' A' ' 65' ' ' GLY . 2.8 pp0? -58.59 -30.42 67.18 Favored 'General case' 0 N--CA 1.466 0.352 0 N-CA-C 111.561 0.208 . . . . 0.0 111.561 -177.851 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.47 HD13 ' HA ' ' A' ' 91' ' ' LEU . 57.8 mt -55.98 -42.05 75.73 Favored 'General case' 0 C--N 1.33 -0.253 0 CA-C-N 116.398 -0.365 . . . . 0.0 111.314 -178.336 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.457 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 11.2 mm100 -66.93 -34.36 77.6 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 116.127 -0.488 . . . . 0.0 111.596 -177.555 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 61.1 mt -77.18 -39.1 28.32 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.714 0 C-N-CA 120.937 -0.305 . . . . 0.0 111.359 178.412 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.476 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 57.7 mt -70.18 -31.86 69.53 Favored 'General case' 0 C--N 1.329 -0.316 0 N-CA-C 112.029 0.381 . . . . 0.0 112.029 -175.569 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.457 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.1 pp -60.12 -22.97 63.47 Favored 'General case' 0 N--CA 1.465 0.316 0 N-CA-C 112.159 0.429 . . . . 0.0 112.159 -176.716 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.454 ' N ' HD12 ' A' ' 73' ' ' LEU . 43.4 mm-40 -50.88 -34.31 27.67 Favored 'General case' 0 N--CA 1.465 0.283 0 CA-C-O 120.969 0.414 . . . . 0.0 110.813 176.286 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.923 ' HB2' HD11 ' A' ' 81' ' ' LEU . 67.0 mm-40 -110.62 131.56 54.95 Favored 'General case' 0 C--N 1.328 -0.344 0 N-CA-C 109.18 -0.674 . . . . 0.0 109.18 177.794 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.5 m120 -98.83 -0.36 42.65 Favored 'General case' 0 C--N 1.325 -0.488 0 C-N-CA 120.849 -0.34 . . . . 0.0 111.916 -172.836 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.593 HD13 ' HB3' ' A' ' 80' ' ' ARG . 1.0 OUTLIER -85.57 85.89 2.33 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 CA-C-O 121.449 0.642 . . . . 0.0 111.57 177.949 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 4.4 m120 -63.17 -37.14 86.06 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.365 -0.834 . . . . 0.0 110.371 -177.687 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 12.6 tp10 -63.97 -39.2 93.6 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-O 121.284 0.564 . . . . 0.0 110.654 179.348 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.593 ' HB3' HD13 ' A' ' 77' ' ' ILE . 56.3 ttt180 -75.95 -40.96 52.94 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 115.572 -0.74 . . . . 0.0 110.408 -177.315 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.923 HD11 ' HB2' ' A' ' 75' ' ' GLN . 90.3 mt -75.59 -12.13 60.15 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.491 -0.777 . . . . 0.0 111.253 177.871 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 50.1 m-80 71.63 25.26 3.34 Favored 'General case' 0 N--CA 1.468 0.466 0 CA-C-N 115.788 -0.642 . . . . 0.0 111.981 177.119 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.463 HD11 HD13 ' A' ' 72' ' ' LEU . 1.6 mp -61.33 120.12 6.64 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-O 121.053 0.454 . . . . 0.0 110.034 176.33 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.513 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -75.58 170.53 54.53 Favored Glycine 0 N--CA 1.45 -0.414 0 CA-C-N 115.663 -0.699 . . . . 0.0 113.019 -176.651 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.44 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 5.4 mm-40 -55.13 -53.87 56.75 Favored Pre-proline 0 C--N 1.327 -0.405 0 N-CA-C 112.387 0.514 . . . . 0.0 112.387 -177.453 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.73 ' HB2' HG13 ' A' ' 8' ' ' ILE . 42.9 Cg_endo -67.95 -10.94 30.46 Favored 'Trans proline' 0 C--N 1.351 0.679 0 C-N-CA 122.104 1.87 . . . . 0.0 112.494 179.405 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.513 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.3 mm? -77.63 -28.94 51.55 Favored 'General case' 0 C--N 1.323 -0.566 0 CA-C-N 116.348 -0.387 . . . . 0.0 110.096 179.248 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 6.4 mp -68.45 -43.76 76.33 Favored 'General case' 0 C--O 1.233 0.235 0 CA-C-O 120.801 0.334 . . . . 0.0 110.525 176.197 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.474 HG22 ' HA ' ' A' ' 86' ' ' PRO . 35.5 m -73.73 -34.8 41.91 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-N 116.343 -0.39 . . . . 0.0 111.281 -177.498 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.599 ' HB2' HD11 ' A' ' 8' ' ' ILE . 50.3 t80 -60.97 -35.64 77.31 Favored 'General case' 0 N--CA 1.464 0.263 0 CA-C-O 121.114 0.483 . . . . 0.0 110.355 177.955 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.47 ' HA ' HD13 ' A' ' 69' ' ' LEU . 10.5 tt -62.3 -37.17 84.52 Favored 'General case' 0 C--N 1.329 -0.321 0 CA-C-N 115.673 -0.694 . . . . 0.0 110.321 179.974 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 77.3 mtt180 -74.46 -51.66 14.23 Favored 'General case' 0 C--N 1.327 -0.388 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.308 -179.343 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 24.2 ptt180 -160.52 164.19 32.26 Favored 'General case' 0 C--N 1.328 -0.36 0 N-CA-C 109.561 -0.533 . . . . 0.0 109.561 175.155 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 22.5 pt20 -117.96 129.42 55.59 Favored 'General case' 0 C--N 1.319 -0.741 0 CA-C-O 121.143 0.497 . . . . 0.0 111.073 -177.049 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.0 t70 -63.25 -46.34 87.36 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.711 -0.677 . . . . 0.0 110.171 177.494 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 50.2 tp -107.65 108.16 61.22 Favored Pre-proline 0 C--N 1.32 -0.683 0 CA-C-N 115.415 -0.812 . . . . 0.0 109.147 175.294 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 31.1 Cg_exo -63.91 -13.57 38.07 Favored 'Trans proline' 0 C--N 1.343 0.254 0 C-N-CA 123.221 2.614 . . . . 0.0 112.889 -177.407 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.594 ' OE1' ' HD2' ' A' ' 63' ' ' ARG . 8.0 tp10 -139.12 88.97 2.31 Favored 'General case' 0 N--CA 1.443 -0.809 0 CA-C-N 116.101 -0.499 . . . . 0.0 110.275 -178.826 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 60.0 mt -92.29 107.57 19.11 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.542 0 CA-C-N 116.022 -0.536 . . . . 0.0 110.466 178.768 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.442 HG22 HG12 ' A' ' 61' ' ' VAL . 2.7 m -133.6 120.57 20.89 Favored 'General case' 0 C--N 1.321 -0.666 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.295 176.984 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.06 156.85 43.82 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.84 0.353 . . . . 0.0 111.448 -173.796 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.541 ' HB3' HG22 ' A' ' 61' ' ' VAL . 30.2 pt20 -124.55 150.48 45.84 Favored 'General case' 0 C--N 1.323 -0.549 0 CA-C-N 115.993 -0.549 . . . . 0.0 109.884 179.753 . . . . . . . . 2 2 . 1 . 009 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 81.7 mtm180 -77.76 153.27 33.07 Favored 'General case' 0 C--N 1.323 -0.553 0 CA-C-O 120.841 0.353 . . . . 0.0 110.157 -178.457 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.464 ' H ' ' CD ' ' A' ' 104' ' ' GLN . 0.1 OUTLIER -90.64 97.29 11.1 Favored 'General case' 0 C--N 1.32 -0.675 0 CA-C-O 121.676 0.751 . . . . 0.0 110.416 -179.588 . . . . . . . . 3 3 . 1 . 009 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 49.2 tp -85.97 -23.51 26.87 Favored 'General case' 0 C--N 1.324 -0.52 0 N-CA-C 108.713 -0.847 . . . . 0.0 108.713 175.097 . . . . . . . . 1 1 . 1 . 009 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 75.4 mtm180 . . . . . 0 C--O 1.247 0.925 0 CA-C-N 114.541 -1.209 . . . . 0.0 109.099 177.279 . . . . . . . . 0 0 . 1 . 010 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.417 ' O ' ' HG3' ' A' ' 1' ' ' MET . 14.8 tpt . . . . . 0 N--CA 1.482 1.156 0 CA-C-O 121.2 0.524 . . . . 0.0 110.447 . . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 14.3 m -119.53 128.76 54.24 Favored 'General case' 0 C--N 1.327 -0.37 0 O-C-N 122.119 -0.363 . . . . 0.0 110.741 -178.178 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.771 HG13 ' HB2' ' A' ' 95' ' ' ASP . 48.6 mm -75.51 144.14 12.38 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.565 0 N-CA-C 108.821 -0.807 . . . . 0.0 108.821 173.632 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 30.0 p -91.11 172.62 8.43 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-O 120.994 0.426 . . . . 0.0 112.039 -171.08 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.425 ' HB2' ' OD1' ' A' ' 7' ' ' ASP . 16.5 m -75.59 -169.9 1.14 Allowed 'General case' 0 C--N 1.327 -0.374 0 CA-C-N 115.448 -0.796 . . . . 0.0 111.208 -179.408 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 0.2 OUTLIER -50.56 -22.95 2.21 Favored 'General case' 0 CA--C 1.534 0.348 0 C-N-CA 123.584 0.754 . . . . 0.0 112.243 -178.024 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . 0.425 ' OD1' ' HB2' ' A' ' 5' ' ' SER . 3.2 m-20 -55.2 -21.58 14.28 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-N 115.935 -0.575 . . . . 0.0 111.274 179.001 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.636 HD11 ' HB2' ' A' ' 90' ' ' TYR . 15.7 tt -57.07 -38.62 61.46 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.35 0 CA-C-O 120.977 0.418 . . . . 0.0 110.536 177.443 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.447 ' HB3' ' CH2' ' A' ' 54' ' ' TRP . 58.1 m -75.54 -30.61 59.8 Favored 'General case' 0 C--N 1.33 -0.279 0 CA-C-O 121.026 0.441 . . . . 0.0 110.808 178.134 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 79.6 mm-40 -68.85 -37.65 79.25 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.955 -0.566 . . . . 0.0 110.217 -178.136 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.97 -22.0 63.19 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.898 -0.592 . . . . 0.0 110.874 178.409 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.48 ' HB1' HG21 ' A' ' 53' ' ' VAL . . . -74.43 -24.49 59.08 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.209 0.528 . . . . 0.0 110.289 177.437 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 16.6 t70 -77.45 -21.3 53.17 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.8 -0.636 . . . . 0.0 109.958 176.581 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -84.54 -5.0 59.26 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.545 -0.752 . . . . 0.0 111.587 -177.667 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.47 HD22 ' HA ' ' A' ' 83' ' ' ILE . 60.9 mt -65.39 129.84 41.18 Favored 'General case' 0 C--N 1.326 -0.427 0 N-CA-C 109.933 -0.395 . . . . 0.0 109.933 178.766 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 61.5 pttt -114.83 140.36 49.0 Favored 'General case' 0 C--N 1.322 -0.621 0 CA-C-O 120.985 0.421 . . . . 0.0 110.827 -179.242 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 135.22 147.13 5.45 Favored Glycine 0 N--CA 1.445 -0.715 0 N-CA-C 111.365 -0.694 . . . . 0.0 111.365 -177.372 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 79.8 m-85 -111.07 124.51 52.33 Favored 'General case' 0 C--N 1.323 -0.565 0 CA-C-O 120.935 0.398 . . . . 0.0 110.152 -177.445 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.436 HG22 HG12 ' A' ' 30' ' ' VAL . 18.8 t -95.62 131.76 41.55 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.615 0 CA-C-N 115.817 -0.629 . . . . 0.0 110.266 -176.75 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -149.35 163.95 29.28 Favored Glycine 0 N--CA 1.445 -0.741 0 C-N-CA 120.763 -0.732 . . . . 0.0 112.26 -179.436 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.9 t80 -97.13 109.54 22.27 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.728 -0.471 . . . . 0.0 109.728 179.796 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.445 ' HB2' HG12 ' A' ' 29' ' ' ILE . 52.2 t30 -90.28 122.66 33.39 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 121.085 0.469 . . . . 0.0 110.917 -176.886 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 9.9 ptp180 -62.42 -20.99 65.04 Favored 'General case' 0 C--N 1.327 -0.385 0 CA-C-N 115.299 -0.864 . . . . 0.0 112.352 -177.514 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 16.9 tppt? -66.12 -53.7 34.61 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 120.53 0.205 . . . . 0.0 111.047 -178.486 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.1 t -93.24 -19.64 21.22 Favored 'General case' 0 C--N 1.326 -0.435 0 C-N-CA 120.957 -0.297 . . . . 0.0 111.399 -179.247 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.65 33.74 63.39 Favored Glycine 0 N--CA 1.45 -0.369 0 C-N-CA 120.559 -0.829 . . . . 0.0 111.627 -177.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 77.9 mtp180 -139.96 176.6 8.61 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.735 0.303 . . . . 0.0 110.294 -177.61 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 0.4 OUTLIER -82.16 129.3 34.79 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.187 175.045 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.445 HG12 ' HB2' ' A' ' 22' ' ' ASN . 2.7 pp -133.72 171.4 18.06 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.675 0 CA-C-N 116.225 -0.443 . . . . 0.0 110.147 176.946 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.472 HG21 HD11 ' A' ' 77' ' ' ILE . 27.3 m -123.35 140.51 46.74 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.716 0 CA-C-O 121.211 0.529 . . . . 0.0 110.857 179.351 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.419 ' HG3' ' H ' ' A' ' 33' ' ' SER . 15.5 tpp180 -132.05 154.43 49.42 Favored 'General case' 0 C--N 1.315 -0.905 0 N-CA-C 108.382 -0.969 . . . . 0.0 108.382 176.649 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 5.1 t80 -102.99 4.42 37.37 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 121.369 0.604 . . . . 0.0 109.741 -179.892 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.51 ' HB2' ' OG ' ' A' ' 36' ' ' SER . 4.4 m -125.87 116.57 21.74 Favored 'General case' 0 C--N 1.324 -0.533 0 CA-C-N 115.696 -0.684 . . . . 0.0 110.109 -179.564 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.3 mp0 -69.25 -32.11 71.11 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.038 -0.528 . . . . 0.0 110.689 -178.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 17.4 t70 -72.71 -10.44 59.8 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 116.152 -0.476 . . . . 0.0 111.323 -174.739 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.51 ' OG ' ' HB2' ' A' ' 33' ' ' SER . 16.6 m -74.73 -7.02 52.03 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-O 121.056 0.455 . . . . 0.0 111.025 -178.513 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.436 ' HB2' HD11 ' A' ' 46' ' ' ILE . 70.9 m-85 -123.01 106.28 10.69 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.814 176.861 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.5 -76.12 1.2 Allowed Glycine 0 N--CA 1.448 -0.551 0 C-N-CA 120.586 -0.816 . . . . 0.0 111.168 -179.975 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 26.8 ptt? -104.75 2.64 30.47 Favored 'General case' 0 C--N 1.321 -0.652 0 N-CA-C 109.018 -0.734 . . . . 0.0 109.018 172.748 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -66.47 -52.06 50.15 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 114.991 -1.004 . . . . 0.0 109.829 179.022 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 25.5 t -133.12 145.56 33.85 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.56 0 CA-C-N 114.745 -1.116 . . . . 0.0 108.716 -179.988 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . 0.401 ' O ' HG13 ' A' ' 46' ' ' ILE . . . -66.6 137.17 56.55 Favored 'General case' 0 C--N 1.322 -0.587 0 N-CA-C 109.574 -0.528 . . . . 0.0 109.574 175.761 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 6.0 p-10 -63.15 -26.13 68.67 Favored 'General case' 0 C--N 1.326 -0.445 0 CA-C-O 120.983 0.42 . . . . 0.0 110.673 -177.925 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 18.5 t70 -70.88 -29.73 65.91 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-N 115.939 -0.573 . . . . 0.0 110.314 175.962 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 40.8 m -86.0 -18.0 33.74 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.91 -0.586 . . . . 0.0 111.096 -178.238 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.436 HD11 ' HB2' ' A' ' 37' ' ' PHE . 59.5 mt -75.78 97.39 1.38 Allowed 'Isoleucine or valine' 0 C--O 1.235 0.298 0 N-CA-C 109.239 -0.652 . . . . 0.0 109.239 174.566 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 79.6 m -114.03 124.85 30.23 Favored Pre-proline 0 C--N 1.321 -0.662 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.126 -175.76 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 36.3 Cg_exo -58.49 141.25 97.11 Favored 'Trans proline' 0 N--CA 1.461 -0.428 0 C-N-CA 122.548 2.166 . . . . 0.0 110.795 172.28 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.459 ' HA ' ' HB3' ' A' ' 52' ' ' PHE . 6.2 t -64.13 -13.87 51.02 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-O 120.584 0.23 . . . . 0.0 111.577 -177.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.7 OUTLIER -67.94 -30.28 69.55 Favored 'General case' 0 C--N 1.329 -0.302 0 CA-C-O 121.107 0.479 . . . . 0.0 110.458 175.678 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 36.5 tt0 -104.75 -27.22 11.91 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.114 -179.793 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.459 ' HB3' ' HA ' ' A' ' 49' ' ' THR . 63.2 t80 -57.91 -35.45 71.06 Favored 'General case' 0 C--N 1.328 -0.33 0 CA-C-N 115.603 -0.726 . . . . 0.0 111.557 -176.319 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.549 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 27.6 m -75.51 -8.79 12.13 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.326 0 N-CA-C 111.887 0.329 . . . . 0.0 111.887 -177.581 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.447 ' CH2' ' HB3' ' A' ' 9' ' ' CYS . 97.6 m95 -102.68 124.85 48.98 Favored 'General case' 0 C--N 1.327 -0.38 0 CA-C-O 121.136 0.493 . . . . 0.0 111.005 -178.891 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 28.4 t -110.01 111.72 23.28 Favored 'General case' 0 C--N 1.319 -0.743 0 N-CA-C 109.272 -0.64 . . . . 0.0 109.272 175.016 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 27.5 t -67.24 115.45 6.92 Favored 'General case' 0 C--N 1.325 -0.457 0 N-CA-C 109.555 -0.535 . . . . 0.0 109.555 178.676 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 17.0 m -107.46 -27.1 3.07 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 N-CA-C 111.938 0.348 . . . . 0.0 111.938 -175.589 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 19.9 ttt180 -161.25 108.49 1.46 Allowed 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 120.884 0.374 . . . . 0.0 111.953 -178.467 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.1 m-20 55.93 -92.8 0.03 OUTLIER 'General case' 0 N--CA 1.467 0.401 0 CA-C-N 115.075 -0.966 . . . . 0.0 112.703 176.644 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 33.1 t70 -111.6 -11.84 13.99 Favored 'General case' 0 C--N 1.328 -0.327 0 CA-C-O 121.437 0.636 . . . . 0.0 110.021 -179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.551 ' HA ' ' HB3' ' A' ' 102' ' ' GLN . 30.2 t -71.91 109.51 4.19 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.44 -0.8 . . . . 0.0 110.359 -177.813 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 70.1 mtm -99.95 132.15 45.48 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.934 -0.575 . . . . 0.0 110.317 179.393 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 17.8 ttt180 -95.56 120.54 35.99 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 115.705 -0.679 . . . . 0.0 110.142 177.745 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.7 tm? -70.1 111.77 5.99 Favored 'General case' 0 C--N 1.323 -0.553 0 N-CA-C 108.37 -0.974 . . . . 0.0 108.37 174.361 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -93.86 107.61 3.56 Favored Glycine 0 N--CA 1.443 -0.882 0 C-N-CA 120.627 -0.797 . . . . 0.0 112.089 -176.893 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.576 ' HB3' ' CE2' ' A' ' 90' ' ' TYR . 0.0 OUTLIER -68.96 -17.65 63.97 Favored 'General case' 0 C--N 1.32 -0.684 0 O-C-N 122.611 -0.347 . . . . 0.0 111.027 176.337 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.531 ' OE1' ' HD3' ' A' ' 66' ' ' ARG . 1.7 mp0 -56.74 -30.58 63.69 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.608 0.718 . . . . 0.0 109.986 175.633 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.549 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 12.9 mm-40 -66.5 -31.51 72.29 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-N 114.774 -1.103 . . . . 0.0 111.321 -176.385 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.575 HD13 ' HA ' ' A' ' 66' ' ' ARG . 10.0 mp -63.39 -28.51 70.04 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.933 -178.923 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 16.7 mm100 -67.52 -30.84 70.61 Favored 'General case' 0 C--N 1.328 -0.356 0 CA-C-O 120.727 0.299 . . . . 0.0 110.612 178.634 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.532 ' O ' ' HG2' ' A' ' 74' ' ' GLU . 61.8 mt -74.55 -34.89 36.63 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.274 0 CA-C-O 121.408 0.623 . . . . 0.0 110.161 178.267 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 80.0 mt -74.13 -29.77 61.98 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.356 0.598 . . . . 0.0 109.908 175.912 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 60.7 tp -66.88 -38.69 86.78 Favored 'General case' 0 C--N 1.325 -0.469 0 CA-C-N 115.14 -0.937 . . . . 0.0 111.622 -178.19 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.532 ' HG2' ' O ' ' A' ' 71' ' ' ILE . 13.5 pt-20 -69.49 -29.25 66.85 Favored 'General case' 0 C--N 1.331 -0.218 0 CA-C-O 120.945 0.402 . . . . 0.0 110.051 179.296 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.414 ' NE2' ' HA ' ' A' ' 29' ' ' ILE . 4.5 tp-100 -69.4 -45.55 68.96 Favored 'General case' 0 C--N 1.328 -0.35 0 N-CA-C 108.868 -0.79 . . . . 0.0 108.868 175.173 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 1.8 t-20 65.17 30.97 11.19 Favored 'General case' 0 N--CA 1.464 0.229 0 CA-C-N 114.671 -1.149 . . . . 0.0 112.319 169.773 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.472 HD11 HG21 ' A' ' 30' ' ' VAL . 1.8 pp -117.07 55.21 0.2 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.573 0 CA-C-O 121.48 0.657 . . . . 0.0 110.826 175.279 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.507 ' HA ' HD13 ' A' ' 83' ' ' ILE . 46.3 t-20 -55.12 -36.2 65.46 Favored 'General case' 0 N--CA 1.465 0.287 0 CA-C-N 115.187 -0.915 . . . . 0.0 110.75 -177.753 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.8 tp10 -59.95 -33.5 72.0 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.394 -178.293 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 71.8 ttt180 -79.45 -54.46 5.9 Favored 'General case' 0 C--N 1.327 -0.376 0 CA-C-O 120.848 0.356 . . . . 0.0 111.197 -176.366 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 84.2 mt -69.54 -26.51 64.54 Favored 'General case' 0 C--N 1.325 -0.462 0 CA-C-N 115.894 -0.594 . . . . 0.0 110.988 -177.168 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 7.6 t30 62.84 83.87 0.15 Allowed 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 115.422 -0.808 . . . . 0.0 110.138 -174.904 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.507 HD13 ' HA ' ' A' ' 78' ' ' ASN . 1.9 mp -80.91 128.2 38.9 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.697 0 N-CA-C 109.088 -0.708 . . . . 0.0 109.088 176.616 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.573 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -55.2 145.47 30.64 Favored Glycine 0 N--CA 1.449 -0.443 0 CA-C-N 115.69 -0.686 . . . . 0.0 113.039 -176.46 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.559 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 2.5 mp0 -55.69 -48.15 97.13 Favored Pre-proline 0 C--N 1.321 -0.66 0 C-N-CA 122.67 0.388 . . . . 0.0 111.643 -178.703 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.559 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 38.2 Cg_exo -59.73 -26.31 81.81 Favored 'Trans proline' 0 C--N 1.36 1.161 0 C-N-CA 122.014 1.809 . . . . 0.0 112.245 175.764 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.573 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.4 mm? -68.89 -35.04 76.4 Favored 'General case' 0 C--N 1.329 -0.308 0 CA-C-N 116.156 -0.475 . . . . 0.0 109.865 179.311 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.666 ' O ' ' HD3' ' A' ' 92' ' ' ARG . 10.4 mp -63.99 -43.46 95.63 Favored 'General case' 0 C--N 1.331 -0.217 0 CA-C-N 116.124 -0.489 . . . . 0.0 109.714 174.3 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.479 HG12 HD13 ' A' ' 3' ' ' ILE . 16.7 t -63.44 -34.93 70.33 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 CA-C-O 121.27 0.557 . . . . 0.0 109.97 -179.941 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.636 ' HB2' HD11 ' A' ' 8' ' ' ILE . 7.0 t80 -64.75 -33.88 77.01 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.346 -0.843 . . . . 0.0 110.353 177.543 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 9.7 tt -72.2 -32.39 66.74 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.664 -0.698 . . . . 0.0 110.032 178.674 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.666 ' HD3' ' O ' ' A' ' 88' ' ' LEU . 4.2 mpt_? -60.09 -59.71 4.99 Favored 'General case' 0 N--CA 1.465 0.321 0 CA-C-N 116.225 -0.443 . . . . 0.0 109.933 176.79 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.599 ' HG3' HD11 ' A' ' 3' ' ' ILE . 6.6 ptp180 -149.25 131.99 15.97 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.017 0.437 . . . . 0.0 110.629 173.499 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.45 ' O ' ' HG3' ' A' ' 94' ' ' GLN . 11.4 pt20 -83.14 100.51 10.59 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-O 121.602 0.715 . . . . 0.0 109.992 176.509 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.771 ' HB2' HG13 ' A' ' 3' ' ' ILE . 16.4 t70 -68.25 -41.68 80.78 Favored 'General case' 0 C--N 1.316 -0.87 0 N-CA-C 109.114 -0.699 . . . . 0.0 109.114 175.985 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 5.1 mp -117.64 102.63 51.56 Favored Pre-proline 0 C--N 1.325 -0.457 0 CA-C-N 115.411 -0.813 . . . . 0.0 109.217 173.231 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 46.7 Cg_exo -57.2 -43.34 53.77 Favored 'Trans proline' 0 C--N 1.344 0.302 0 C-N-CA 122.889 2.393 . . . . 0.0 112.265 179.834 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.3 mt-10 -116.48 92.16 3.8 Favored 'General case' 0 C--N 1.322 -0.594 0 CA-C-N 116.167 -0.47 . . . . 0.0 110.531 178.306 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.441 HG21 ' SG ' ' A' ' 9' ' ' CYS . 51.4 mt -83.22 104.8 12.28 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.748 0 N-CA-C 109.136 -0.69 . . . . 0.0 109.136 175.314 . . . . . . . . 2 2 . 1 . 010 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 1.4 p -101.42 123.44 45.49 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 116.251 -0.431 . . . . 0.0 110.736 179.898 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -131.94 136.83 47.64 Favored 'General case' 0 C--N 1.319 -0.747 0 CA-C-N 115.678 -0.692 . . . . 0.0 110.742 -177.632 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.551 ' HB3' ' HA ' ' A' ' 61' ' ' VAL . 0.0 OUTLIER -138.02 150.45 46.97 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.828 -0.624 . . . . 0.0 110.119 177.148 . . . . . . . . 3 3 . 1 . 010 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 22.0 ttm-85 -90.06 -37.99 13.88 Favored 'General case' 0 C--N 1.318 -0.802 0 N-CA-C 109.502 -0.555 . . . . 0.0 109.502 179.857 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 3.5 pm0 -144.74 163.71 33.18 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.735 -0.666 . . . . 0.0 110.056 176.732 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 31.1 tp -117.57 -19.97 9.19 Favored 'General case' 0 C--N 1.323 -0.558 0 CA-C-O 121.346 0.593 . . . . 0.0 109.69 178.074 . . . . . . . . 1 1 . 1 . 010 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 39.2 ptt180 . . . . . 0 C--O 1.252 1.189 0 CA-C-O 118.474 -0.774 . . . . 0.0 109.542 177.253 . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 66.1 mtt . . . . . 0 N--CA 1.481 1.077 0 CA-C-O 120.755 0.312 . . . . 0.0 110.745 . . . . . . . . . 0 0 . 1 . 011 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 13.1 m -84.84 161.16 20.02 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.446 -0.343 . . . . 0.0 110.407 179.729 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.636 HG13 ' HB3' ' A' ' 95' ' ' ASP . 38.2 mm -67.77 141.65 17.46 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.32 0 CA-C-N 116.392 -0.367 . . . . 0.0 110.151 -179.034 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.421 ' OG1' ' HB ' ' A' ' 8' ' ' ILE . 30.2 p -91.05 -175.19 4.24 Favored 'General case' 0 C--N 1.322 -0.606 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.383 -172.716 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.503 ' O ' HG22 ' A' ' 8' ' ' ILE . 13.2 m -78.59 -170.2 2.0 Favored 'General case' 0 C--N 1.322 -0.589 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.011 -178.277 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.1 m -50.45 -23.75 2.65 Favored 'General case' 0 CA--C 1.534 0.354 0 C-N-CA 123.642 0.777 . . . . 0.0 112.689 -175.502 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 31.0 m-20 -52.83 -29.89 30.35 Favored 'General case' 0 C--N 1.33 -0.251 0 CA-C-N 116.386 -0.37 . . . . 0.0 111.4 178.749 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.536 HD11 ' HB2' ' A' ' 90' ' ' TYR . 16.5 tt -63.83 -34.78 70.29 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.267 0 CA-C-O 120.967 0.413 . . . . 0.0 110.811 -179.117 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 12.3 m -74.51 -39.99 62.06 Favored 'General case' 0 C--N 1.328 -0.357 0 CA-C-N 116.148 -0.478 . . . . 0.0 110.514 -179.249 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 28.8 mm-40 -74.19 -36.75 64.03 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.864 -0.607 . . . . 0.0 111.146 -177.106 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -60.79 -32.51 71.85 Favored 'General case' 0 C--N 1.328 -0.336 0 CA-C-N 116.223 -0.444 . . . . 0.0 111.121 179.303 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.438 ' HB2' HD11 ' A' ' 87' ' ' LEU . . . -66.11 -25.67 67.11 Favored 'General case' 0 C--N 1.332 -0.18 0 CA-C-O 120.896 0.379 . . . . 0.0 111.625 -178.953 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 18.3 t70 -86.61 -17.61 33.47 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 121.289 0.566 . . . . 0.0 110.028 -179.62 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.91 2.25 49.88 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.815 -0.63 . . . . 0.0 112.197 -175.337 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.416 HD11 ' H ' ' A' ' 84' ' ' GLY . 11.0 mp -66.29 169.37 7.33 Favored 'General case' 0 N--CA 1.466 0.345 0 CA-C-O 120.779 0.323 . . . . 0.0 110.965 177.562 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.454 ' HG2' ' HB2' ' A' ' 82' ' ' ASN . 17.7 ptpt -141.24 157.08 45.72 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 120.798 0.333 . . . . 0.0 110.692 -179.536 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 108.52 154.43 17.04 Favored Glycine 0 N--CA 1.444 -0.794 0 C-N-CA 120.282 -0.961 . . . . 0.0 112.35 178.273 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 88.1 m-85 -118.75 122.87 43.46 Favored 'General case' 0 C--N 1.319 -0.75 0 N-CA-C 109.682 -0.488 . . . . 0.0 109.682 -178.574 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.51 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 12.1 p -114.04 134.43 56.91 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.708 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.594 -173.909 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.76 175.92 29.54 Favored Glycine 0 N--CA 1.449 -0.487 0 C-N-CA 120.962 -0.637 . . . . 0.0 112.347 -176.388 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.9 t80 -100.64 123.62 45.11 Favored 'General case' 0 C--N 1.324 -0.518 0 CA-C-O 120.841 0.353 . . . . 0.0 110.9 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.505 ' HB3' HG22 ' A' ' 25' ' ' THR . 24.5 t-20 -94.94 114.58 26.43 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 109.583 -0.525 . . . . 0.0 109.583 177.238 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.445 ' HG2' ' HB3' ' A' ' 40' ' ' ASP . 13.4 ptm180 -71.38 -20.86 62.09 Favored 'General case' 0 C--N 1.327 -0.379 0 N-CA-C 112.75 0.648 . . . . 0.0 112.75 -172.965 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.494 ' HB2' ' OD1' ' A' ' 40' ' ' ASP . 3.5 ttmp? -76.35 -49.65 16.29 Favored 'General case' 0 C--N 1.328 -0.336 0 O-C-N 122.131 -0.356 . . . . 0.0 110.883 179.88 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.505 HG22 ' HB3' ' A' ' 22' ' ' ASN . 12.1 t -81.82 -24.41 35.9 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.942 0.401 . . . . 0.0 110.72 -179.492 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.47 40.58 27.43 Favored Glycine 0 N--CA 1.45 -0.399 0 C-N-CA 120.919 -0.658 . . . . 0.0 112.863 175.121 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.491 ' HG2' HG23 ' A' ' 25' ' ' THR . 32.1 ptt180 -154.25 168.02 27.95 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 120.867 0.365 . . . . 0.0 110.97 177.987 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.47 ' CE2' HG22 ' A' ' 19' ' ' VAL . 2.2 t80 -96.71 119.99 36.21 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.784 -174.558 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 pp -130.19 159.55 42.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.337 0 CA-C-O 120.712 0.291 . . . . 0.0 111.761 -174.031 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.51 ' HA ' ' HA ' ' A' ' 19' ' ' VAL . 8.3 p -116.3 145.21 22.35 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.321 -0.399 . . . . 0.0 110.84 -178.542 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.2 OUTLIER -137.47 148.02 45.76 Favored 'General case' 0 C--N 1.325 -0.471 0 N-CA-C 109.428 -0.582 . . . . 0.0 109.428 174.334 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 59.0 t80 -73.28 -41.35 63.71 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.466 -0.334 . . . . 0.0 111.422 -176.6 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 17.2 m -101.19 134.13 44.7 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 116.498 -0.319 . . . . 0.0 111.17 -176.47 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 1.5 mp0 -66.33 -45.35 80.56 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 116.04 -0.527 . . . . 0.0 111.104 -177.309 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 18.7 t70 -61.78 -17.23 55.25 Favored 'General case' 0 N--CA 1.466 0.366 0 CA-C-N 115.84 -0.618 . . . . 0.0 111.915 -176.157 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 34.6 m -83.73 25.79 0.75 Allowed 'General case' 0 C--N 1.32 -0.694 0 CA-C-O 120.895 0.379 . . . . 0.0 111.469 -175.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 16.6 p90 -90.34 149.32 22.36 Favored 'General case' 0 C--N 1.326 -0.436 0 CA-C-O 120.961 0.41 . . . . 0.0 110.117 177.78 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -102.96 176.6 24.86 Favored Glycine 0 N--CA 1.445 -0.744 0 C-N-CA 120.584 -0.817 . . . . 0.0 111.231 176.174 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 26.3 mmt -69.92 -0.73 7.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-O 121.201 0.524 . . . . 0.0 111.019 -178.988 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.494 ' OD1' ' HB2' ' A' ' 24' ' ' LYS . 14.9 m-20 -82.21 -11.37 58.73 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.291 175.366 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 38.2 t -129.44 123.91 58.73 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.496 0 CA-C-N 115.787 -0.642 . . . . 0.0 109.681 -179.107 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -73.13 142.57 47.48 Favored 'General case' 0 C--N 1.322 -0.618 0 N-CA-C 109.612 -0.514 . . . . 0.0 109.612 175.563 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.8 p-10 -64.07 -27.37 69.06 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.61 0.243 . . . . 0.0 111.167 -177.601 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 17.3 t70 -71.63 -29.63 64.86 Favored 'General case' 0 C--N 1.329 -0.325 0 CA-C-O 120.934 0.397 . . . . 0.0 110.371 174.732 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 25.0 m -82.03 -6.51 59.21 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-N 115.841 -0.618 . . . . 0.0 111.294 -177.404 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 65.1 mt -69.99 101.91 0.79 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.351 0 N-CA-C 109.48 -0.563 . . . . 0.0 109.48 175.276 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 7.8 m -101.03 117.18 62.91 Favored Pre-proline 0 C--N 1.322 -0.596 0 CA-C-N 116.041 -0.527 . . . . 0.0 111.134 -175.23 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 25.3 Cg_exo -61.37 130.71 33.02 Favored 'Trans proline' 0 N--CA 1.46 -0.497 0 C-N-CA 122.318 2.012 . . . . 0.0 110.299 171.455 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.403 HG23 ' HB3' ' A' ' 15' ' ' LEU . 9.0 t -60.53 -25.77 66.38 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 120.485 0.183 . . . . 0.0 111.456 -177.108 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 14.6 m -68.99 -17.33 63.91 Favored 'General case' 0 CA--C 1.531 0.225 0 CA-C-O 120.88 0.371 . . . . 0.0 110.945 177.532 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -115.48 3.31 14.05 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 121.176 0.512 . . . . 0.0 110.105 178.286 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.4 t80 -93.04 -44.21 8.51 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.753 -0.658 . . . . 0.0 110.607 -178.35 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.551 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 34.4 m -68.86 -21.98 26.15 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.288 0 CA-C-O 120.944 0.402 . . . . 0.0 110.987 -178.688 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -87.46 115.55 24.96 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 109.314 -0.624 . . . . 0.0 109.314 173.819 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 46.5 t -98.9 111.56 23.92 Favored 'General case' 0 C--N 1.315 -0.903 0 CA-C-N 115.875 -0.602 . . . . 0.0 109.97 -178.804 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 11.3 m -74.51 114.1 12.52 Favored 'General case' 0 C--N 1.32 -0.716 0 N-CA-C 109.648 -0.501 . . . . 0.0 109.648 176.886 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 27.1 m -110.84 -4.87 11.09 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.527 0 CA-C-O 121.449 0.642 . . . . 0.0 109.725 177.705 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.478 ' HB3' ' HB ' ' A' ' 61' ' ' VAL . 33.9 ttt180 -151.63 166.3 31.65 Favored 'General case' 0 N--CA 1.445 -0.718 0 N-CA-C 107.746 -1.205 . . . . 0.0 107.746 179.82 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -61.43 -51.96 66.54 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-O 120.821 0.343 . . . . 0.0 111.351 -176.493 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 18.8 t70 -97.82 -32.56 11.64 Favored 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.093 -178.394 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.478 ' HB ' ' HB3' ' A' ' 58' ' ' ARG . 46.0 t -91.52 115.19 30.08 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.472 0 CA-C-O 121.153 0.501 . . . . 0.0 111.827 -174.279 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.426 ' O ' ' HA ' ' A' ' 100' ' ' THR . 62.4 mtm -108.06 157.94 17.83 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-N 115.861 -0.608 . . . . 0.0 109.765 175.298 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . . . . . . . . . 5.3 ptm180 -130.24 144.2 51.23 Favored 'General case' 0 C--N 1.326 -0.421 0 N-CA-C 110.297 -0.26 . . . . 0.0 110.297 176.971 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.537 HD12 ' CE2' ' A' ' 90' ' ' TYR . 0.4 OUTLIER -73.93 118.94 17.47 Favored 'General case' 0 C--N 1.323 -0.559 0 N-CA-C 109.042 -0.725 . . . . 0.0 109.042 175.353 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -99.88 112.27 4.4 Favored Glycine 0 N--CA 1.446 -0.696 0 C-N-CA 120.562 -0.828 . . . . 0.0 112.114 -178.318 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.519 ' HA ' HD13 ' A' ' 69' ' ' LEU . 0.2 OUTLIER -70.73 -18.89 62.78 Favored 'General case' 0 C--N 1.322 -0.602 0 O-C-N 122.415 -0.462 . . . . 0.0 111.719 178.407 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 3.9 pm0 -63.17 -23.68 67.54 Favored 'General case' 0 N--CA 1.464 0.255 0 CA-C-O 121.123 0.487 . . . . 0.0 110.814 178.487 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.551 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 8.3 mm-40 -67.14 -34.95 78.68 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.594 -0.73 . . . . 0.0 110.127 -178.881 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.519 HD13 ' HA ' ' A' ' 66' ' ' ARG . 8.3 mp -68.3 -27.66 66.49 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.201 -0.908 . . . . 0.0 111.152 -176.96 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 14.8 mm100 -61.53 -33.79 74.44 Favored 'General case' 0 C--N 1.33 -0.258 0 CA-C-O 120.658 0.266 . . . . 0.0 111.1 179.517 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . 0.438 ' O ' ' HG3' ' A' ' 74' ' ' GLU . 64.1 mt -69.22 -39.92 79.77 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.45 0 CA-C-O 121.247 0.546 . . . . 0.0 110.09 178.715 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 40.5 mt -73.1 -25.18 60.78 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.706 -0.679 . . . . 0.0 110.593 178.165 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 63.7 tp -68.81 -27.13 65.59 Favored 'General case' 0 C--N 1.324 -0.527 0 CA-C-N 115.578 -0.737 . . . . 0.0 112.191 -174.347 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.492 ' OE2' ' HB2' ' A' ' 75' ' ' GLN . 0.8 OUTLIER -82.49 -22.12 35.24 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.174 0.511 . . . . 0.0 110.6 -179.6 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.492 ' HB2' ' OE2' ' A' ' 74' ' ' GLU . 6.0 tp-100 -108.81 89.11 2.89 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 115.746 -0.661 . . . . 0.0 109.678 176.925 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 16.8 m120 -73.63 84.9 1.59 Allowed 'General case' 0 C--N 1.326 -0.423 0 CA-C-O 121.194 0.521 . . . . 0.0 111.328 -176.256 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . . . . . . . . . 1.6 pp -135.57 56.49 0.29 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.495 0 CA-C-N 115.478 -0.783 . . . . 0.0 110.568 174.431 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.44 ' HA ' HD13 ' A' ' 83' ' ' ILE . 15.4 m120 -56.62 -35.37 68.24 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 115.389 -0.823 . . . . 0.0 110.806 178.876 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -68.01 -27.56 66.66 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 116.0 -0.545 . . . . 0.0 111.109 177.906 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.452 ' HD2' ' HA ' ' A' ' 80' ' ' ARG . 16.6 tpt180 -84.98 -52.4 6.01 Favored 'General case' 0 C--N 1.325 -0.496 0 CA-C-O 120.837 0.351 . . . . 0.0 111.167 -176.236 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.477 HD23 ' O ' ' A' ' 81' ' ' LEU . 8.1 tt -85.41 -25.38 27.04 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.147 -0.479 . . . . 0.0 110.923 -174.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.454 ' HB2' ' HG2' ' A' ' 16' ' ' LYS . 0.9 OUTLIER 65.26 72.08 0.43 Allowed 'General case' 0 N--CA 1.466 0.357 0 CA-C-O 121.165 0.507 . . . . 0.0 110.778 -175.961 . . . . . . . . 3 3 . 1 . 011 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.44 HD13 ' HA ' ' A' ' 78' ' ' ASN . 3.2 mp -77.44 124.27 35.54 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.464 0 N-CA-C 109.092 -0.707 . . . . 0.0 109.092 175.956 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.582 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -54.92 141.36 36.83 Favored Glycine 0 N--CA 1.451 -0.339 0 O-C-N 123.577 0.548 . . . . 0.0 112.783 -178.223 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.544 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 2.0 mp0 -58.39 -49.12 95.29 Favored Pre-proline 0 C--N 1.321 -0.643 0 C-N-CA 122.635 0.374 . . . . 0.0 111.91 -177.06 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.544 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 28.5 Cg_exo -63.74 -16.08 52.66 Favored 'Trans proline' 0 C--N 1.358 1.064 0 C-N-CA 121.999 1.799 . . . . 0.0 112.32 177.41 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.582 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.1 mm? -72.29 -32.26 66.45 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 116.445 -0.343 . . . . 0.0 110.235 179.607 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.49 ' O ' ' HG3' ' A' ' 92' ' ' ARG . 3.5 mm? -63.39 -31.34 72.47 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.275 0.559 . . . . 0.0 109.589 174.33 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.519 HG12 HD13 ' A' ' 3' ' ' ILE . 54.0 t -68.65 -42.55 83.33 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.407 0 CA-C-N 115.511 -0.768 . . . . 0.0 110.4 177.289 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.537 ' CE2' HD12 ' A' ' 64' ' ' LEU . 12.9 t80 -65.62 -30.49 71.21 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.753 -0.658 . . . . 0.0 109.83 178.573 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 60.8 tp -69.45 -35.71 75.92 Favored 'General case' 0 C--N 1.329 -0.31 0 CA-C-N 115.547 -0.751 . . . . 0.0 110.527 177.007 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.49 ' HG3' ' O ' ' A' ' 88' ' ' LEU . 54.5 mtt180 -58.55 -58.65 7.62 Favored 'General case' 0 CA--C 1.522 -0.133 0 CA-C-O 121.147 0.498 . . . . 0.0 110.525 178.796 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.442 ' O ' HD11 ' A' ' 3' ' ' ILE . 4.3 ptp180 -144.99 132.06 20.37 Favored 'General case' 0 C--N 1.322 -0.602 0 CA-C-N 115.761 -0.654 . . . . 0.0 110.286 -178.993 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 19.1 pt20 -87.06 61.9 7.05 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-O 121.443 0.64 . . . . 0.0 109.45 172.745 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.636 ' HB3' HG13 ' A' ' 3' ' ' ILE . 19.1 t70 -53.15 -44.76 68.06 Favored 'General case' 0 CA--C 1.519 -0.236 0 CA-C-N 114.946 -1.025 . . . . 0.0 109.525 178.343 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 80.6 mt -96.04 101.2 7.88 Favored Pre-proline 0 N--CA 1.446 -0.641 0 N-CA-C 107.65 -1.241 . . . . 0.0 107.65 166.033 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 45.7 Cg_endo -69.04 -18.35 40.45 Favored 'Trans proline' 0 C--O 1.231 0.142 0 C-N-CA 122.644 2.229 . . . . 0.0 112.666 -171.323 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 7.2 pt-20 -150.44 92.76 1.89 Allowed 'General case' 0 C--N 1.32 -0.676 0 CA-C-O 121.072 0.463 . . . . 0.0 111.356 179.779 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 63.5 mt -75.06 104.73 3.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 N-CA-C 108.178 -1.045 . . . . 0.0 108.178 168.856 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.426 ' HA ' ' O ' ' A' ' 62' ' ' MET . 5.6 p -99.02 137.75 37.1 Favored 'General case' 0 C--N 1.317 -0.808 0 CA-C-O 121.233 0.54 . . . . 0.0 111.49 -174.957 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.22 120.68 36.83 Favored 'General case' 0 C--N 1.317 -0.809 0 CA-C-N 115.317 -0.856 . . . . 0.0 109.441 178.385 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.416 ' HB3' HG22 ' A' ' 61' ' ' VAL . 10.8 pt20 -142.47 150.59 40.74 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.786 -0.643 . . . . 0.0 109.691 -178.351 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.413 HH11 ' HD3' ' A' ' 103' ' ' ARG . 9.2 mmm180 -78.02 69.14 4.19 Favored 'General case' 0 C--N 1.325 -0.457 0 CA-C-O 121.352 0.596 . . . . 0.0 110.021 -178.832 . . . . . . . . 2 2 . 1 . 011 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -82.26 126.91 32.66 Favored 'General case' 0 C--N 1.323 -0.578 0 CA-C-N 115.415 -0.811 . . . . 0.0 110.474 -179.216 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 22.0 tp -111.08 14.36 21.9 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 115.838 -0.619 . . . . 0.0 109.614 -179.658 . . . . . . . . 1 1 . 1 . 011 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 11.4 tpt180 . . . . . 0 C--O 1.25 1.086 0 CA-C-N 115.552 -0.749 . . . . 0.0 109.582 176.789 . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.3 mtt . . . . . 0 N--CA 1.48 1.032 0 CA-C-O 121.06 0.457 . . . . 0.0 110.252 . . . . . . . . . 0 0 . 1 . 012 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 27.9 m -125.04 168.48 13.29 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 115.86 -0.609 . . . . 0.0 110.799 -179.557 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.618 HG13 ' H ' ' A' ' 95' ' ' ASP . 45.5 mm -86.09 137.58 20.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.529 0 N-CA-C 108.845 -0.798 . . . . 0.0 108.845 174.895 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 42.3 p -91.72 -175.56 4.2 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.213 0.53 . . . . 0.0 111.985 -172.001 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 40.7 m -69.75 -168.42 0.19 Allowed 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 114.985 -1.007 . . . . 0.0 112.255 -177.338 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 6.5 m -49.44 -22.79 1.27 Allowed 'General case' 0 CA--C 1.535 0.402 0 C-N-CA 123.704 0.802 . . . . 0.0 112.541 -176.242 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -52.62 -24.97 9.41 Favored 'General case' 0 C--N 1.331 -0.215 0 C-N-CA 122.674 0.39 . . . . 0.0 111.969 178.427 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.705 HG13 ' HB2' ' A' ' 86' ' ' PRO . 19.6 tt -62.54 -34.83 67.04 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.346 0 CA-C-O 120.911 0.386 . . . . 0.0 110.765 178.086 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 49.5 t -74.89 -35.23 62.27 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 121.217 0.532 . . . . 0.0 110.237 177.045 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.6 mm-40 -72.99 -34.0 66.15 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-N 115.77 -0.65 . . . . 0.0 111.108 -177.756 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . 0.566 ' HB1' ' HA3' ' A' ' 84' ' ' GLY . . . -62.72 -32.12 73.18 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-N 116.08 -0.509 . . . . 0.0 111.49 179.78 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.491 ' HA ' HD13 ' A' ' 15' ' ' LEU . . . -67.69 -19.66 65.19 Favored 'General case' 0 C--N 1.33 -0.265 0 CA-C-O 121.365 0.603 . . . . 0.0 110.754 178.294 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 24.3 t70 -85.62 -11.98 52.58 Favored 'General case' 0 C--N 1.323 -0.548 0 CA-C-N 115.587 -0.733 . . . . 0.0 110.028 178.904 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -91.87 -1.83 57.13 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 115.771 -0.649 . . . . 0.0 111.661 -177.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.607 ' HB3' HG23 ' A' ' 49' ' ' THR . 11.0 mp -71.32 128.76 36.96 Favored 'General case' 0 C--N 1.327 -0.377 0 N-CA-C 109.805 -0.443 . . . . 0.0 109.805 175.668 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 16.3 pttp -129.28 143.35 50.82 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 121.078 0.466 . . . . 0.0 111.075 -174.895 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 119.58 166.06 13.21 Favored Glycine 0 N--CA 1.446 -0.678 0 CA-C-N 115.546 -0.752 . . . . 0.0 111.89 -175.072 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 26.9 m-85 -111.88 132.62 54.6 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-O 120.817 0.341 . . . . 0.0 110.434 -179.224 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.51 HG23 ' HB ' ' A' ' 49' ' ' THR . 47.8 t -101.79 130.86 50.81 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.669 0 N-CA-C 109.307 -0.627 . . . . 0.0 109.307 176.726 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -142.29 162.54 27.22 Favored Glycine 0 N--CA 1.445 -0.736 0 C-N-CA 120.23 -0.986 . . . . 0.0 112.575 -178.095 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 73.6 t80 -109.45 114.56 28.31 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-O 120.882 0.372 . . . . 0.0 110.062 179.059 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 3.2 t-20 -89.21 101.17 13.83 Favored 'General case' 0 C--N 1.322 -0.616 0 N-CA-C 109.374 -0.602 . . . . 0.0 109.374 178.284 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 4.7 ptp180 -69.39 -20.95 63.81 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 116.448 -0.342 . . . . 0.0 111.791 -174.075 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 35.6 ttpt -53.32 -45.79 69.16 Favored 'General case' 0 C--N 1.332 -0.191 0 CA-C-O 120.979 0.418 . . . . 0.0 110.79 176.422 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 3.7 t -105.07 -13.3 15.78 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.579 179.879 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 70.89 49.88 26.53 Favored Glycine 0 N--CA 1.45 -0.384 0 CA-C-N 115.992 -0.549 . . . . 0.0 112.762 177.403 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 7.4 ptm180 -151.1 162.88 40.04 Favored 'General case' 0 C--N 1.326 -0.433 0 O-C-N 122.74 -0.271 . . . . 0.0 110.413 -178.827 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.5 m-85 -86.8 138.53 31.51 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 116.203 -0.453 . . . . 0.0 110.968 177.973 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.4 pp -132.56 160.33 42.62 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.509 0 CA-C-N 115.791 -0.641 . . . . 0.0 110.691 178.421 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 16.2 m -118.29 128.7 75.28 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-N 116.307 -0.406 . . . . 0.0 110.161 177.097 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.621 ' HG3' ' HE2' ' A' ' 37' ' ' PHE . 11.1 mmt180 -135.49 164.65 27.32 Favored 'General case' 0 C--N 1.321 -0.638 0 CA-C-N 116.257 -0.429 . . . . 0.0 110.753 -177.366 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.553 ' HZ ' ' HG3' ' A' ' 80' ' ' ARG . 85.3 m-85 -111.87 -21.95 11.35 Favored 'General case' 0 C--N 1.32 -0.713 0 CA-C-O 121.382 0.61 . . . . 0.0 109.72 178.993 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.417 ' HB3' ' HB2' ' A' ' 36' ' ' SER . 36.5 t -106.97 112.92 26.11 Favored 'General case' 0 N--CA 1.445 -0.722 0 CA-C-N 115.355 -0.839 . . . . 0.0 109.672 174.748 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 12.5 pt-20 -69.47 -19.08 63.76 Favored 'General case' 0 C--N 1.325 -0.491 0 CA-C-O 121.674 0.749 . . . . 0.0 109.496 175.464 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.0 t70 -77.07 -13.78 59.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-N 114.733 -1.122 . . . . 0.0 110.758 178.15 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.417 ' HB2' ' HB3' ' A' ' 33' ' ' SER . 4.4 t -63.66 -33.31 75.34 Favored 'General case' 0 C--N 1.329 -0.297 0 CA-C-N 115.995 -0.548 . . . . 0.0 111.171 -174.771 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.621 ' HE2' ' HG3' ' A' ' 31' ' ' ARG . 69.6 m-85 -105.75 162.89 13.14 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 116.532 -0.304 . . . . 0.0 110.506 178.624 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -133.32 -130.08 3.03 Favored Glycine 0 N--CA 1.443 -0.834 0 C-N-CA 120.302 -0.951 . . . . 0.0 113.141 -177.106 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.4 ptt? -59.79 -21.25 60.56 Favored 'General case' 0 C--N 1.326 -0.417 0 N-CA-C 113.697 0.999 . . . . 0.0 113.697 -170.896 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 28.6 t70 -73.54 -31.09 63.47 Favored 'General case' 0 C--N 1.327 -0.397 0 CA-C-O 121.03 0.443 . . . . 0.0 110.794 -179.318 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 59.1 t -111.85 127.24 69.15 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.536 0 CA-C-N 116.293 -0.412 . . . . 0.0 110.797 -176.648 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.09 120.5 12.18 Favored 'General case' 0 C--N 1.326 -0.445 0 N-CA-C 109.665 -0.495 . . . . 0.0 109.665 175.293 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 7.2 p-10 -67.48 -18.34 65.03 Favored 'General case' 0 C--N 1.325 -0.467 0 CA-C-N 116.367 -0.378 . . . . 0.0 111.5 -174.644 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -74.42 -21.67 59.51 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-O 120.771 0.319 . . . . 0.0 110.894 175.63 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 37.4 m -81.34 -19.65 42.35 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.572 -179.351 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 59.9 mt -73.03 98.14 0.88 Allowed 'Isoleucine or valine' 0 C--N 1.328 -0.355 0 CA-C-N 116.043 -0.526 . . . . 0.0 109.629 178.218 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.7 m -115.94 134.53 22.72 Favored Pre-proline 0 C--N 1.323 -0.585 0 CA-C-N 115.916 -0.583 . . . . 0.0 111.234 -172.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 53.9 Cg_exo -51.95 126.08 19.04 Favored 'Trans proline' 0 C--N 1.346 0.415 0 C-N-CA 122.846 2.364 . . . . 0.0 111.178 173.161 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.607 HG23 ' HB3' ' A' ' 15' ' ' LEU . 9.6 t -61.89 -25.78 67.76 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 112.113 0.412 . . . . 0.0 112.113 -173.191 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.42 ' O ' HG22 ' A' ' 53' ' ' VAL . 31.4 t -64.85 -43.37 93.22 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.554 0.216 . . . . 0.0 110.836 179.597 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.608 ' HA ' ' HD1' ' A' ' 54' ' ' TRP . 34.2 tt0 -87.28 -14.53 40.67 Favored 'General case' 0 C--N 1.33 -0.26 0 CA-C-O 121.317 0.58 . . . . 0.0 110.258 -178.125 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 75.6 t80 -67.21 -25.39 66.09 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.845 -179.525 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.579 ' HA ' ' HG2' ' A' ' 68' ' ' GLN . 10.7 m -87.29 -3.61 9.25 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.37 0 CA-C-N 116.338 -0.392 . . . . 0.0 111.468 -176.338 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.608 ' HD1' ' HA ' ' A' ' 51' ' ' GLU . 98.1 m95 -99.45 118.38 35.93 Favored 'General case' 0 C--N 1.323 -0.577 0 CA-C-O 121.009 0.433 . . . . 0.0 110.72 -179.09 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 15.2 m -90.9 112.89 24.93 Favored 'General case' 0 C--N 1.322 -0.6 0 CA-C-N 115.88 -0.6 . . . . 0.0 110.195 178.511 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.456 ' HA ' ' HG2' ' A' ' 62' ' ' MET . 20.3 m -65.47 124.48 22.41 Favored 'General case' 0 C--N 1.328 -0.338 0 CA-C-N 116.349 -0.387 . . . . 0.0 110.526 179.325 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 30.5 m -115.14 7.55 7.48 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.325 0 N-CA-C 112.14 0.422 . . . . 0.0 112.14 -177.189 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.446 ' HB3' HG12 ' A' ' 61' ' ' VAL . 29.6 ttm180 -166.39 -77.28 0.03 OUTLIER 'General case' 0 C--N 1.329 -0.293 0 CA-C-O 120.822 0.344 . . . . 0.0 110.66 178.994 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.431 ' OD1' ' HG2' ' A' ' 58' ' ' ARG . 6.3 m-20 -135.97 -87.11 0.34 Allowed 'General case' 0 C--N 1.327 -0.378 0 CA-C-N 116.024 -0.535 . . . . 0.0 109.578 -178.709 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.414 ' OD2' ' HG2' ' A' ' 103' ' ' ARG . 9.8 t70 -95.59 -23.06 17.22 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 115.75 -0.659 . . . . 0.0 110.061 175.664 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.446 HG12 ' HB3' ' A' ' 58' ' ' ARG . 7.5 p -69.78 120.33 17.3 Favored 'Isoleucine or valine' 0 C--O 1.238 0.495 0 CA-C-O 121.732 0.777 . . . . 0.0 110.454 179.916 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.456 ' HG2' ' HA ' ' A' ' 56' ' ' SER . 57.3 mtt -126.73 149.44 49.59 Favored 'General case' 0 C--N 1.319 -0.745 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.482 -178.614 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.523 ' HB2' ' HB2' ' A' ' 98' ' ' GLU . 31.3 ptt180 -111.35 146.63 36.76 Favored 'General case' 0 C--N 1.32 -0.693 0 N-CA-C 109.521 -0.548 . . . . 0.0 109.521 175.684 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.542 ' HB2' ' HB ' ' A' ' 99' ' ' ILE . 0.8 OUTLIER -63.09 110.5 1.85 Allowed 'General case' 0 C--N 1.322 -0.597 0 N-CA-C 109.15 -0.685 . . . . 0.0 109.15 177.666 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.697 ' O ' ' HG3' ' A' ' 68' ' ' GLN . . . -87.29 120.07 5.42 Favored Glycine 0 N--CA 1.439 -1.11 0 C-N-CA 120.643 -0.789 . . . . 0.0 111.26 -179.067 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 9.3 ptm85 -70.76 -13.05 61.91 Favored 'General case' 0 C--N 1.319 -0.751 0 CA-C-N 117.412 0.606 . . . . 0.0 110.985 175.876 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.433 ' HG3' ' H ' ' A' ' 67' ' ' GLU . 0.0 OUTLIER -65.25 -27.27 68.53 Favored 'General case' 0 CA--C 1.535 0.37 0 N-CA-C 112.571 0.582 . . . . 0.0 112.571 -178.372 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.697 ' HG3' ' O ' ' A' ' 65' ' ' GLY . 3.3 pp0? -65.34 -30.16 70.97 Favored 'General case' 0 N--CA 1.464 0.269 0 CA-C-O 120.805 0.336 . . . . 0.0 111.086 174.915 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.62 ' HG ' ' NE2' ' A' ' 68' ' ' GLN . 81.6 mt -60.97 -30.92 70.54 Favored 'General case' 0 C--O 1.223 -0.296 0 CA-C-N 116.176 -0.466 . . . . 0.0 110.795 -179.86 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.884 HE21 ' HA ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -69.3 -34.04 74.09 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-O 120.878 0.37 . . . . 0.0 110.339 178.641 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 62.8 mt -73.63 -48.22 41.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.318 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.222 179.304 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 76.1 mt -64.67 -27.6 69.04 Favored 'General case' 0 C--N 1.329 -0.316 0 CA-C-N 115.804 -0.635 . . . . 0.0 110.939 178.478 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 58.5 tp -56.93 -28.7 62.38 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 115.629 -0.714 . . . . 0.0 112.049 -178.627 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 37.6 mt-10 -82.06 -13.46 57.29 Favored 'General case' 0 C--N 1.328 -0.352 0 CA-C-O 120.9 0.381 . . . . 0.0 111.091 179.278 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 46.6 mt-30 -122.25 90.85 3.38 Favored 'General case' 0 C--N 1.325 -0.485 0 CA-C-O 120.84 0.352 . . . . 0.0 110.091 -179.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . 0.427 ' N ' HD22 ' A' ' 76' ' ' ASN . 0.9 OUTLIER -79.75 35.13 0.29 Allowed 'General case' 0 N--CA 1.47 0.573 0 CA-C-O 121.191 0.519 . . . . 0.0 111.653 -174.813 . . . . . . . . 3 3 . 1 . 012 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.418 ' H ' HG13 ' A' ' 77' ' ' ILE . 1.7 pp -93.81 53.15 0.12 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 CA-C-N 116.024 -0.534 . . . . 0.0 111.267 -179.037 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.544 ' HA ' HD13 ' A' ' 83' ' ' ILE . 2.5 m-20 -58.72 -31.52 68.35 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-N 115.969 -0.56 . . . . 0.0 111.338 -178.602 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 10.7 mm-40 -68.25 -29.17 67.92 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.349 0.595 . . . . 0.0 110.912 177.62 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.553 ' HG3' ' HZ ' ' A' ' 32' ' ' PHE . 3.9 tpt180 -81.35 -51.63 8.14 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 115.554 -0.748 . . . . 0.0 110.479 -175.73 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 17.4 tp -89.55 -22.21 22.5 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.836 -0.62 . . . . 0.0 111.311 -173.177 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.3 t30 64.13 85.49 0.14 Allowed 'General case' 0 N--CA 1.465 0.3 0 CA-C-N 115.643 -0.708 . . . . 0.0 111.063 -177.379 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.544 HD13 ' HA ' ' A' ' 78' ' ' ASN . 2.4 mp -88.87 132.0 34.82 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.497 0 CA-C-N 115.609 -0.723 . . . . 0.0 109.321 176.669 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.566 ' HA3' ' HB1' ' A' ' 11' ' ' ALA . . . -56.9 146.48 35.4 Favored Glycine 0 N--CA 1.452 -0.268 0 O-C-N 123.624 0.577 . . . . 0.0 113.195 -176.88 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.597 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 17.2 tp10 -54.24 -56.03 30.67 Favored Pre-proline 0 CA--C 1.54 0.59 0 N-CA-C 112.392 0.516 . . . . 0.0 112.392 -178.084 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.705 ' HB2' HG13 ' A' ' 8' ' ' ILE . 11.2 Cg_exo -72.24 -1.53 10.26 Favored 'Trans proline' 0 C--N 1.352 0.751 0 C-N-CA 121.947 1.765 . . . . 0.0 112.993 -177.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.523 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.9 mm? -73.71 -28.91 61.97 Favored 'General case' 0 C--N 1.328 -0.338 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 176.848 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.3 mp -66.18 -45.9 79.26 Favored 'General case' 0 C--N 1.331 -0.236 0 CA-C-N 115.789 -0.641 . . . . 0.0 110.731 179.103 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 21.8 m -71.75 -34.29 51.34 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.356 0 CA-C-N 116.496 -0.32 . . . . 0.0 110.996 179.582 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.517 ' HB2' HD11 ' A' ' 8' ' ' ILE . 36.8 t80 -59.55 -35.81 74.96 Favored 'General case' 0 CA--C 1.533 0.29 0 CA-C-O 121.354 0.597 . . . . 0.0 109.935 175.413 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.523 HD12 HD22 ' A' ' 69' ' ' LEU . 7.1 tt -67.75 -50.52 56.83 Favored 'General case' 0 C--O 1.233 0.208 0 CA-C-N 115.488 -0.778 . . . . 0.0 109.931 176.987 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 30.0 mmt85 -54.94 -53.51 54.66 Favored 'General case' 0 C--N 1.331 -0.212 0 CA-C-N 115.858 -0.61 . . . . 0.0 110.955 -178.963 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.429 ' O ' HD11 ' A' ' 3' ' ' ILE . 13.0 ttm180 -166.86 115.06 0.84 Allowed 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.047 0.451 . . . . 0.0 109.935 174.763 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 13.8 pt20 -78.91 120.31 23.33 Favored 'General case' 0 C--N 1.319 -0.759 0 CA-C-N 115.741 -0.663 . . . . 0.0 110.737 -177.864 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.618 ' H ' HG13 ' A' ' 3' ' ' ILE . 26.8 t70 -75.15 -27.73 59.85 Favored 'General case' 0 C--N 1.32 -0.679 0 N-CA-C 109.123 -0.695 . . . . 0.0 109.123 175.853 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 94.5 mt -99.38 123.57 47.93 Favored Pre-proline 0 C--N 1.324 -0.521 0 CA-C-N 115.148 -0.933 . . . . 0.0 109.078 171.992 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 32.3 Cg_exo -59.01 -30.36 93.16 Favored 'Trans proline' 0 C--N 1.342 0.217 0 C-N-CA 122.705 2.27 . . . . 0.0 111.936 -179.458 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.523 ' HB2' ' HB2' ' A' ' 63' ' ' ARG . 9.2 pt-20 -166.57 122.75 1.23 Allowed 'General case' 0 C--N 1.324 -0.512 0 CA-C-N 115.575 -0.739 . . . . 0.0 110.173 176.361 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.542 ' HB ' ' HB2' ' A' ' 64' ' ' LEU . 67.3 mt -78.61 113.83 18.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.707 0 N-CA-C 109.223 -0.658 . . . . 0.0 109.223 174.706 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 2.8 p -95.03 127.79 41.36 Favored 'General case' 0 C--N 1.32 -0.679 0 CA-C-O 121.167 0.508 . . . . 0.0 111.42 -176.035 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -130.98 127.57 38.63 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-N 115.588 -0.733 . . . . 0.0 110.484 179.81 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 26.2 pt20 -147.62 138.95 23.7 Favored 'General case' 0 C--N 1.32 -0.689 0 CA-C-N 115.821 -0.627 . . . . 0.0 109.638 176.344 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.414 ' HG2' ' OD2' ' A' ' 60' ' ' ASP . 12.1 ptm180 -95.95 -177.07 3.89 Favored 'General case' 0 C--N 1.32 -0.696 0 CA-C-O 121.102 0.477 . . . . 0.0 110.031 178.873 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.456 ' HG3' ' H ' ' A' ' 106' ' ' ARG . 27.7 pt20 -137.92 174.7 10.29 Favored 'General case' 0 C--N 1.315 -0.907 0 N-CA-C 109.206 -0.665 . . . . 0.0 109.206 174.632 . . . . . . . . 2 2 . 1 . 012 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 21.8 tp -96.64 22.25 8.32 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.833 0.825 . . . . 0.0 109.518 178.66 . . . . . . . . 1 1 . 1 . 012 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.456 ' H ' ' HG3' ' A' ' 104' ' ' GLN . 91.9 mtt180 . . . . . 0 C--O 1.247 0.926 0 CA-C-N 114.944 -1.025 . . . . 0.0 109.237 -179.501 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 52.8 ttp . . . . . 0 N--CA 1.483 1.203 0 CA-C-O 120.652 0.263 . . . . 0.0 110.831 . . . . . . . . . 0 0 . 1 . 013 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.6 m -70.33 142.21 52.21 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.377 -0.374 . . . . 0.0 110.665 179.906 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.891 HG21 ' HB2' ' A' ' 95' ' ' ASP . 42.4 mm -70.75 141.84 16.41 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.316 0 N-CA-C 109.84 -0.43 . . . . 0.0 109.84 179.057 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 38.5 p -98.24 174.39 6.53 Favored 'General case' 0 C--N 1.321 -0.665 0 CA-C-O 121.357 0.599 . . . . 0.0 112.315 -174.02 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 38.2 m -80.74 -164.66 0.75 Allowed 'General case' 0 C--N 1.325 -0.496 0 CA-C-N 114.879 -1.055 . . . . 0.0 109.946 174.387 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 5.7 m -47.89 -20.05 0.28 Allowed 'General case' 0 CA--C 1.542 0.67 0 C-N-CA 123.601 0.761 . . . . 0.0 112.567 -178.09 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -50.17 -30.54 11.59 Favored 'General case' 0 N--CA 1.468 0.433 0 C-N-CA 122.705 0.402 . . . . 0.0 110.947 175.326 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.643 HD11 ' HB2' ' A' ' 90' ' ' TYR . 16.8 tt -58.26 -34.75 50.81 Favored 'Isoleucine or valine' 0 CA--C 1.533 0.291 0 CA-C-N 116.105 -0.498 . . . . 0.0 111.097 179.697 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.435 ' HG ' ' HH2' ' A' ' 54' ' ' TRP . 41.5 t -74.19 -39.49 63.13 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-N 116.178 -0.465 . . . . 0.0 110.621 179.906 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 69.0 mm-40 -74.16 -36.73 64.11 Favored 'General case' 0 C--N 1.327 -0.395 0 CA-C-N 116.168 -0.469 . . . . 0.0 110.957 -176.622 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.72 -19.09 65.57 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 116.246 -0.434 . . . . 0.0 111.488 -178.625 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -70.6 -16.69 62.87 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 116.366 -0.379 . . . . 0.0 111.136 178.229 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 5.5 t70 -94.51 -9.03 36.63 Favored 'General case' 0 C--N 1.327 -0.399 0 CA-C-O 121.436 0.636 . . . . 0.0 110.054 179.443 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -81.25 -8.22 59.71 Favored 'General case' 0 C--O 1.234 0.287 0 CA-C-N 115.722 -0.672 . . . . 0.0 110.804 179.643 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.442 HD22 ' HA ' ' A' ' 83' ' ' ILE . 14.3 mt -68.23 135.75 52.47 Favored 'General case' 0 C--N 1.327 -0.406 0 N-CA-C 108.978 -0.749 . . . . 0.0 108.978 176.252 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.523 ' HE2' ' OD1' ' A' ' 82' ' ' ASN . 61.1 pttt -132.78 133.78 43.87 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.354 0.597 . . . . 0.0 111.389 -179.017 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 131.38 166.35 11.66 Favored Glycine 0 N--CA 1.445 -0.766 0 CA-C-N 115.445 -0.798 . . . . 0.0 111.425 -177.633 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.423 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 77.5 m-85 -113.12 137.39 51.51 Favored 'General case' 0 C--N 1.318 -0.797 0 CA-C-O 120.799 0.333 . . . . 0.0 110.19 -178.729 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 16.9 t -105.41 124.45 60.33 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.773 0 N-CA-C 108.763 -0.829 . . . . 0.0 108.763 174.973 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.451 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -142.33 164.04 27.01 Favored Glycine 0 N--CA 1.444 -0.793 0 C-N-CA 120.297 -0.954 . . . . 0.0 112.74 -174.125 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 57.4 t80 -98.3 116.56 30.79 Favored 'General case' 0 C--N 1.322 -0.628 0 CA-C-O 120.819 0.342 . . . . 0.0 110.367 -179.083 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . 0.438 ' OD1' HG22 ' A' ' 25' ' ' THR . 26.6 t-20 -90.89 119.81 31.39 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.293 -0.632 . . . . 0.0 109.293 176.09 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.509 ' HD3' ' OD1' ' A' ' 40' ' ' ASP . 4.4 ptm180 -78.91 -16.0 57.59 Favored 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.642 -0.254 . . . . 0.0 111.341 -172.343 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.87 ' HE2' ' HA ' ' A' ' 24' ' ' LYS . 0.5 OUTLIER -72.8 -55.61 6.45 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.665 0.269 . . . . 0.0 110.399 -179.641 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.45 HG23 ' H ' ' A' ' 27' ' ' ARG . 12.2 t -84.52 -15.42 45.95 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-O 121.001 0.429 . . . . 0.0 110.127 177.497 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 71.27 22.42 78.54 Favored Glycine 0 N--CA 1.45 -0.392 0 CA-C-N 115.91 -0.587 . . . . 0.0 112.403 177.007 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.45 ' H ' HG23 ' A' ' 25' ' ' THR . 1.2 mmp_? -114.64 156.38 24.84 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-O 120.732 0.301 . . . . 0.0 110.406 -176.06 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 8.2 t80 -96.21 105.29 17.32 Favored 'General case' 0 C--N 1.323 -0.564 0 N-CA-C 108.449 -0.945 . . . . 0.0 108.449 177.752 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 pp -122.76 178.49 3.12 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.57 0 CA-C-O 121.182 0.515 . . . . 0.0 112.307 -167.254 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.454 HG11 HD22 ' A' ' 81' ' ' LEU . 34.6 m -107.53 148.92 11.33 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.541 0 CA-C-N 115.616 -0.72 . . . . 0.0 110.856 -179.443 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 31.0 tpt180 -152.34 132.13 13.23 Favored 'General case' 0 C--N 1.32 -0.711 0 N-CA-C 109.178 -0.675 . . . . 0.0 109.178 179.35 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 74.9 t80 -86.03 -30.23 22.82 Favored 'General case' 0 C--N 1.322 -0.598 0 CA-C-O 121.188 0.518 . . . . 0.0 109.882 179.022 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 6.1 m -81.1 112.51 18.54 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 115.592 -0.731 . . . . 0.0 110.709 -179.951 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 0.0 OUTLIER -69.32 -28.22 66.06 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.21 0.528 . . . . 0.0 109.784 177.071 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 31.7 t70 -62.95 -13.26 32.51 Favored 'General case' 0 C--N 1.33 -0.27 0 CA-C-N 115.338 -0.846 . . . . 0.0 111.709 -178.914 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 19.3 m -77.64 55.88 1.39 Allowed 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 120.904 0.383 . . . . 0.0 111.326 -178.426 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.4 ' HA ' ' HB ' ' A' ' 41' ' ' VAL . 3.3 p90 -145.94 -178.2 6.0 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 109.651 -0.5 . . . . 0.0 109.651 176.919 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 167.9 -120.19 0.89 Allowed Glycine 0 N--CA 1.448 -0.547 0 C-N-CA 120.724 -0.75 . . . . 0.0 111.966 -179.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 22.9 ptp -94.93 -25.0 16.73 Favored 'General case' 0 C--N 1.323 -0.571 0 CA-C-O 120.775 0.321 . . . . 0.0 110.404 178.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.509 ' OD1' ' HD3' ' A' ' 23' ' ' ARG . 3.6 m-20 -89.32 -12.49 40.38 Favored 'General case' 0 C--N 1.329 -0.301 0 CA-C-N 116.416 -0.356 . . . . 0.0 111.048 178.515 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.4 ' HB ' ' HA ' ' A' ' 37' ' ' PHE . 57.4 t -118.95 109.56 27.16 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.619 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.633 -179.475 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -69.5 135.06 49.64 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.805 177.238 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.6 p-10 -67.67 -29.95 69.36 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 116.118 -0.492 . . . . 0.0 111.426 -175.933 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 1.3 p-10 -69.07 -24.37 64.15 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-O 121.395 0.617 . . . . 0.0 110.068 -179.278 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.451 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 24.8 m -90.42 11.38 21.76 Favored 'General case' 0 C--N 1.322 -0.596 0 CA-C-N 115.268 -0.878 . . . . 0.0 110.728 -174.509 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 60.2 mt -110.04 106.66 21.15 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.444 0 CA-C-N 115.735 -0.666 . . . . 0.0 109.392 174.637 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 26.1 m -119.05 117.31 33.61 Favored Pre-proline 0 C--N 1.321 -0.664 0 CA-C-N 116.609 -0.269 . . . . 0.0 110.712 -179.486 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.423 ' HA ' ' HA ' ' A' ' 18' ' ' PHE . 45.6 Cg_exo -55.27 132.6 53.19 Favored 'Trans proline' 0 C--N 1.342 0.218 0 C-N-CA 122.481 2.121 . . . . 0.0 111.056 175.423 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . . . . . . . . . 8.9 t -62.49 -20.5 64.65 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-O 120.636 0.255 . . . . 0.0 111.428 -175.87 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -65.48 -23.97 67.04 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 121.162 0.506 . . . . 0.0 110.673 177.437 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 39.7 tt0 -116.37 -18.69 10.4 Favored 'General case' 0 C--N 1.327 -0.403 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.502 -177.977 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 91.0 t80 -59.56 -38.89 82.32 Favored 'General case' 0 C--N 1.329 -0.322 0 CA-C-N 115.954 -0.567 . . . . 0.0 111.511 -177.26 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 30.9 m -74.48 -10.44 13.73 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 120.713 0.292 . . . . 0.0 111.544 -177.573 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.435 ' HH2' ' HG ' ' A' ' 9' ' ' CYS . 99.7 m95 -100.35 116.79 33.15 Favored 'General case' 0 C--N 1.327 -0.41 0 CA-C-O 121.035 0.445 . . . . 0.0 110.963 -179.471 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.731 ' HB2' ' HG3' ' A' ' 63' ' ' ARG . 18.7 m -86.86 117.51 25.65 Favored 'General case' 0 C--N 1.319 -0.757 0 N-CA-C 109.314 -0.625 . . . . 0.0 109.314 174.973 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 12.8 p -79.95 114.94 19.24 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-O 121.172 0.511 . . . . 0.0 110.641 -178.055 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 34.4 m -106.58 -16.33 8.34 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-N 115.926 -0.579 . . . . 0.0 110.513 179.441 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.41 ' O ' ' HB2' ' A' ' 59' ' ' ASP . 34.8 mmt180 -146.11 -75.37 0.21 Allowed 'General case' 0 C--N 1.325 -0.457 0 CA-C-N 115.502 -0.772 . . . . 0.0 109.55 178.575 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.41 ' HB2' ' O ' ' A' ' 58' ' ' ARG . 33.0 t70 163.16 -53.81 0.0 OUTLIER 'General case' 0 CA--C 1.515 -0.373 0 CA-C-N 114.081 -1.418 . . . . 0.0 107.854 -176.059 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.467 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 10.9 t70 -75.46 -37.63 60.18 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-N 114.513 -1.221 . . . . 0.0 108.792 175.1 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 3.7 t -98.92 125.72 52.3 Favored 'Isoleucine or valine' 0 C--O 1.235 0.325 0 CA-C-N 114.991 -1.004 . . . . 0.0 110.42 178.858 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 67.4 mtt -131.84 144.81 51.17 Favored 'General case' 0 C--N 1.325 -0.466 0 N-CA-C 109.853 -0.425 . . . . 0.0 109.853 176.14 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.731 ' HG3' ' HB2' ' A' ' 55' ' ' SER . 7.9 ptp180 -115.0 143.67 44.81 Favored 'General case' 0 C--N 1.324 -0.543 0 CA-C-O 120.68 0.276 . . . . 0.0 110.973 179.228 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.6 OUTLIER -86.8 116.45 24.9 Favored 'General case' 0 C--N 1.324 -0.529 0 N-CA-C 109.572 -0.529 . . . . 0.0 109.572 -179.695 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.98 121.68 6.63 Favored Glycine 0 N--CA 1.448 -0.534 0 C-N-CA 120.788 -0.72 . . . . 0.0 111.918 179.563 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.403 HH11 ' HD3' ' A' ' 66' ' ' ARG . 13.9 mtm-85 -70.95 -36.88 72.77 Favored 'General case' 0 C--N 1.32 -0.691 0 O-C-N 122.459 -0.436 . . . . 0.0 111.083 -179.862 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 42.8 mt-10 -57.25 -23.83 50.72 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-N 115.452 -0.795 . . . . 0.0 111.142 -177.287 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 5.7 mm100 -62.7 -42.79 99.82 Favored 'General case' 0 C--N 1.321 -0.644 0 CA-C-N 115.2 -0.909 . . . . 0.0 109.801 178.49 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 75.3 mt -70.73 -28.75 64.95 Favored 'General case' 0 C--N 1.329 -0.307 0 CA-C-N 115.452 -0.794 . . . . 0.0 110.237 179.801 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.515 ' HA ' ' CD2' ' A' ' 73' ' ' LEU . 53.7 mt-30 -68.93 -22.11 64.17 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.774 -0.648 . . . . 0.0 110.675 177.772 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 71.6 mt -75.44 -37.16 37.4 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.521 0 CA-C-O 121.201 0.524 . . . . 0.0 110.043 172.925 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 72.7 mt -75.53 -30.9 59.9 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 115.542 -0.753 . . . . 0.0 111.879 -175.232 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.515 ' CD2' ' HA ' ' A' ' 70' ' ' GLN . 4.5 pp -64.36 -23.37 67.27 Favored 'General case' 0 C--N 1.331 -0.239 0 C-N-CA 121.181 -0.208 . . . . 0.0 111.092 -179.222 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 41.7 mm-40 -56.62 -34.5 67.31 Favored 'General case' 0 C--O 1.232 0.176 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.013 176.549 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.454 ' HB3' HG13 ' A' ' 77' ' ' ILE . 26.7 mp0 -87.77 -36.87 17.06 Favored 'General case' 0 C--N 1.328 -0.364 0 N-CA-C 109.817 -0.438 . . . . 0.0 109.817 175.807 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.9 t-20 72.04 7.61 5.82 Favored 'General case' 0 N--CA 1.472 0.674 0 CA-C-N 115.559 -0.746 . . . . 0.0 111.689 171.527 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.588 ' HB ' ' HB3' ' A' ' 80' ' ' ARG . 1.4 pp -85.44 72.0 0.82 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.498 0 CA-C-O 121.676 0.75 . . . . 0.0 111.811 179.873 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.612 ' HA ' HD13 ' A' ' 83' ' ' ILE . 17.0 m120 -60.65 -38.92 86.47 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-N 115.562 -0.745 . . . . 0.0 111.62 -177.627 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.0 mt-10 -76.15 -28.67 57.46 Favored 'General case' 0 C--N 1.326 -0.422 0 CA-C-O 120.696 0.284 . . . . 0.0 110.96 -177.663 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.588 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 61.2 ttt180 -69.32 -54.81 12.71 Favored 'General case' 0 C--N 1.327 -0.4 0 CA-C-O 121.023 0.439 . . . . 0.0 110.582 -179.335 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.471 ' HB3' ' CD1' ' A' ' 83' ' ' ILE . 20.6 tp -86.83 -15.55 38.84 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 115.95 -0.568 . . . . 0.0 111.328 -175.798 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.523 ' OD1' ' HE2' ' A' ' 16' ' ' LYS . 0.9 OUTLIER 69.36 57.76 0.35 Allowed 'General case' 0 N--CA 1.468 0.448 0 CA-C-N 115.98 -0.554 . . . . 0.0 111.08 -179.405 . . . . . . . . 3 3 . 1 . 013 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.612 HD13 ' HA ' ' A' ' 78' ' ' ASN . 3.3 mp -73.7 125.78 33.35 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.297 0 N-CA-C 109.619 -0.511 . . . . 0.0 109.619 176.419 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.651 ' HA3' HD23 ' A' ' 87' ' ' LEU . . . -64.81 150.2 51.44 Favored Glycine 0 N--CA 1.447 -0.577 0 CA-C-N 115.823 -0.626 . . . . 0.0 113.308 -176.523 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.548 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 46.6 mt-10 -71.22 -45.35 14.05 Favored Pre-proline 0 C--N 1.322 -0.619 0 C-N-CA 122.316 0.246 . . . . 0.0 111.425 179.623 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.548 ' HD3' ' HB2' ' A' ' 85' ' ' GLU . 51.6 Cg_exo -57.59 -21.9 48.94 Favored 'Trans proline' 0 C--N 1.357 1.005 0 C-N-CA 121.845 1.697 . . . . 0.0 111.726 171.655 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.651 HD23 ' HA3' ' A' ' 84' ' ' GLY . 3.6 mm? -78.45 -37.05 44.51 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.668 177.28 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 95.2 mt -66.35 -39.34 89.12 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-N 115.726 -0.67 . . . . 0.0 110.828 178.137 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.468 HG22 ' HA ' ' A' ' 86' ' ' PRO . 18.6 m -70.35 -32.78 51.54 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.315 0 C-N-CA 121.013 -0.275 . . . . 0.0 110.458 178.913 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.643 ' HB2' HD11 ' A' ' 8' ' ' ILE . 13.2 t80 -64.28 -29.15 70.25 Favored 'General case' 0 C--O 1.232 0.143 0 CA-C-O 121.347 0.594 . . . . 0.0 109.98 176.389 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 41.1 tp -73.43 -31.3 63.76 Favored 'General case' 0 C--N 1.328 -0.333 0 CA-C-N 115.484 -0.78 . . . . 0.0 110.08 176.479 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 15.4 mmt180 -68.0 -62.52 1.37 Allowed 'General case' 0 C--N 1.33 -0.264 0 N-CA-C 109.364 -0.606 . . . . 0.0 109.364 175.92 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 62.3 mtm180 -146.45 168.09 22.02 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 115.362 -0.835 . . . . 0.0 109.355 179.223 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 28.7 pt20 -124.19 127.5 47.82 Favored 'General case' 0 C--N 1.319 -0.749 0 CA-C-O 121.215 0.531 . . . . 0.0 110.63 -179.976 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.891 ' HB2' HG21 ' A' ' 3' ' ' ILE . 19.5 t70 -74.32 -30.4 62.03 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.733 -0.667 . . . . 0.0 110.089 -179.082 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.431 HD12 HG12 ' A' ' 99' ' ' ILE . 95.9 mt -112.04 143.57 29.0 Favored Pre-proline 0 C--N 1.322 -0.6 0 CA-C-N 115.468 -0.787 . . . . 0.0 109.179 175.512 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 67.0 Cg_exo -51.73 -43.47 50.93 Favored 'Trans proline' 0 C--N 1.346 0.408 0 C-N-CA 122.654 2.236 . . . . 0.0 111.947 179.312 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 55.3 mt-10 -148.09 114.57 5.96 Favored 'General case' 0 C--N 1.324 -0.515 0 N-CA-C 108.81 -0.811 . . . . 0.0 108.81 173.59 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.431 HG12 HD12 ' A' ' 96' ' ' LEU . 32.1 mt -72.62 104.03 1.83 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.561 0 C-N-CA 119.464 -0.894 . . . . 0.0 109.532 175.124 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.533 HG23 ' HB3' ' A' ' 63' ' ' ARG . 1.6 m -122.66 120.74 34.6 Favored 'General case' 0 C--N 1.318 -0.774 0 N-CA-C 108.266 -1.013 . . . . 0.0 108.266 176.712 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -118.43 126.05 51.24 Favored 'General case' 0 C--N 1.315 -0.91 0 CA-C-O 121.143 0.497 . . . . 0.0 110.24 -173.675 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.58 ' HG3' ' O ' ' A' ' 104' ' ' GLN . 13.4 pt20 -122.78 150.41 42.84 Favored 'General case' 0 C--N 1.317 -0.843 0 CA-C-N 115.524 -0.762 . . . . 0.0 109.977 178.96 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 60.1 ttt180 -69.25 -40.71 77.7 Favored 'General case' 0 C--N 1.317 -0.812 0 CA-C-N 115.526 -0.761 . . . . 0.0 110.3 -175.605 . . . . . . . . 1 1 . 1 . 013 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.58 ' O ' ' HG3' ' A' ' 102' ' ' GLN . 26.3 pt20 -83.82 167.21 17.29 Favored 'General case' 0 C--N 1.323 -0.56 0 CA-C-N 116.055 -0.521 . . . . 0.0 110.351 176.481 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.862 ' HG ' ' HG3' ' A' ' 106' ' ' ARG . 2.7 pt? -88.15 -26.27 22.53 Favored 'General case' 0 C--N 1.325 -0.469 0 C-N-CA 120.881 -0.328 . . . . 0.0 111.244 -177.38 . . . . . . . . 2 2 . 1 . 013 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.862 ' HG3' ' HG ' ' A' ' 105' ' ' LEU . 63.9 mtt180 . . . . . 0 C--O 1.249 1.068 0 CA-C-O 118.096 -0.955 . . . . 0.0 110.43 -177.676 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 23.7 ptp . . . . . 0 N--CA 1.481 1.078 0 CA-C-O 120.892 0.377 . . . . 0.0 110.561 . . . . . . . . . 0 0 . 1 . 014 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 15.1 m -97.8 155.85 16.85 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-N 116.241 -0.436 . . . . 0.0 110.138 -179.848 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.651 HG13 ' HB2' ' A' ' 95' ' ' ASP . 48.0 mm -69.56 134.32 30.35 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 CA-C-O 120.928 0.394 . . . . 0.0 110.509 179.203 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 47.8 p -92.94 -175.2 3.81 Favored 'General case' 0 C--N 1.322 -0.617 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.394 -176.657 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.453 ' O ' HG22 ' A' ' 8' ' ' ILE . 9.2 t -78.97 -168.36 1.43 Allowed 'General case' 0 C--N 1.324 -0.529 0 CA-C-N 115.673 -0.694 . . . . 0.0 109.478 176.564 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.6 m -49.7 -22.36 1.35 Allowed 'General case' 0 CA--C 1.536 0.418 0 C-N-CA 123.541 0.736 . . . . 0.0 112.414 -176.312 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 3.4 m-20 -52.33 -24.26 7.24 Favored 'General case' 0 N--CA 1.465 0.287 0 C-N-CA 122.756 0.423 . . . . 0.0 111.38 177.706 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.611 HD11 ' HB2' ' A' ' 90' ' ' TYR . 15.1 tt -59.7 -50.89 78.31 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.387 0 CA-C-N 116.481 -0.327 . . . . 0.0 111.54 -179.683 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.524 ' HB2' ' CH2' ' A' ' 54' ' ' TRP . 26.6 p -75.39 -29.77 59.92 Favored 'General case' 0 C--N 1.33 -0.271 0 CA-C-O 121.068 0.461 . . . . 0.0 110.008 178.899 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 78.6 mt-30 -62.64 -39.04 92.61 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 115.667 -0.697 . . . . 0.0 110.761 178.455 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -66.92 -30.42 70.57 Favored 'General case' 0 C--N 1.33 -0.282 0 CA-C-N 116.304 -0.407 . . . . 0.0 111.192 178.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.633 ' HB2' HD11 ' A' ' 87' ' ' LEU . . . -71.62 -34.91 70.23 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-O 121.387 0.613 . . . . 0.0 110.266 177.6 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -76.72 -17.71 58.93 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-N 115.493 -0.776 . . . . 0.0 110.241 177.038 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -96.25 6.44 48.79 Favored 'General case' 0 C--N 1.328 -0.36 0 CA-C-N 115.917 -0.583 . . . . 0.0 111.566 -178.702 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 92.1 mt -67.01 160.15 27.12 Favored 'General case' 0 C--N 1.332 -0.17 0 N-CA-C 110.047 -0.353 . . . . 0.0 110.047 177.246 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.442 ' HB3' ' NZ ' ' A' ' 16' ' ' LYS . 0.3 OUTLIER -129.79 143.28 50.73 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-O 120.79 0.329 . . . . 0.0 110.96 -178.13 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 126.38 151.66 7.9 Favored Glycine 0 N--CA 1.446 -0.634 0 C-N-CA 120.845 -0.693 . . . . 0.0 111.941 -179.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 76.7 m-85 -114.04 116.47 29.22 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.411 -0.588 . . . . 0.0 109.411 -179.899 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.427 HG12 ' CD2' ' A' ' 28' ' ' TYR . 2.5 t -95.99 123.99 48.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.837 0 N-CA-C 109.566 -0.531 . . . . 0.0 109.566 -176.805 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -141.32 -179.49 18.58 Favored Glycine 0 N--CA 1.444 -0.787 0 C-N-CA 120.797 -0.716 . . . . 0.0 112.24 -175.003 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.528 ' O ' HG21 ' A' ' 41' ' ' VAL . 85.0 t80 -95.97 135.78 37.27 Favored 'General case' 0 C--N 1.319 -0.718 0 CA-C-O 120.767 0.318 . . . . 0.0 110.727 -177.743 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 26.7 t-20 -108.87 117.25 33.71 Favored 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.368 -0.604 . . . . 0.0 109.368 175.213 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 8.3 ptp180 -69.49 -29.36 66.98 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.5 0.555 . . . . 0.0 112.5 -173.152 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 19.3 mtpp -70.45 -49.81 44.8 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.609 0.242 . . . . 0.0 111.357 -177.946 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.9 p -80.71 -21.16 41.45 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.927 0.394 . . . . 0.0 110.901 179.827 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 73.55 27.4 67.58 Favored Glycine 0 N--CA 1.451 -0.358 0 CA-C-N 115.951 -0.568 . . . . 0.0 112.149 178.496 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.435 ' HG3' HG23 ' A' ' 29' ' ' ILE . 16.5 ptm180 -136.2 166.37 23.57 Favored 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 120.987 0.422 . . . . 0.0 111.076 -176.142 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.427 ' CD2' HG12 ' A' ' 19' ' ' VAL . 6.0 t80 -96.47 115.16 26.98 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.581 -0.736 . . . . 0.0 109.314 -178.937 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.435 HG23 ' HG3' ' A' ' 27' ' ' ARG . 2.6 pp -127.77 170.31 17.78 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.421 0 CA-C-O 120.983 0.42 . . . . 0.0 112.033 -171.542 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.652 HG11 HD23 ' A' ' 81' ' ' LEU . 61.5 t -98.02 133.0 41.76 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.41 0 CA-C-O 121.146 0.498 . . . . 0.0 111.43 -177.286 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 4.3 mmp_? -124.02 168.96 12.14 Favored 'General case' 0 C--N 1.322 -0.624 0 N-CA-C 108.841 -0.8 . . . . 0.0 108.841 173.9 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 28.4 m-85 -118.37 -4.18 10.91 Favored 'General case' 0 C--N 1.319 -0.737 0 CA-C-O 121.218 0.532 . . . . 0.0 110.652 175.655 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.549 ' HB2' ' HB3' ' A' ' 36' ' ' SER . 6.4 m -103.59 122.15 44.38 Favored 'General case' 0 C--N 1.322 -0.593 0 N-CA-C 109.113 -0.699 . . . . 0.0 109.113 171.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.2 tt0 -64.57 -32.03 73.51 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-O 120.834 0.35 . . . . 0.0 110.978 -178.27 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 34.8 t70 -107.42 32.18 4.86 Favored 'General case' 0 C--N 1.326 -0.425 0 CA-C-O 121.456 0.646 . . . . 0.0 110.286 -179.586 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.549 ' HB3' ' HB2' ' A' ' 33' ' ' SER . 4.6 p -60.13 -42.61 95.16 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.987 -0.551 . . . . 0.0 110.536 177.884 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.436 ' HB2' HD11 ' A' ' 46' ' ' ILE . 88.8 m-85 -97.77 125.54 42.65 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 115.923 -0.58 . . . . 0.0 109.489 175.618 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -104.05 -98.65 2.51 Favored Glycine 0 N--CA 1.448 -0.51 0 C-N-CA 120.252 -0.975 . . . . 0.0 111.833 -178.393 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 21.9 ptp -74.75 -10.95 60.01 Favored 'General case' 0 C--N 1.324 -0.512 0 CA-C-O 121.326 0.584 . . . . 0.0 109.961 176.38 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 1.8 m-20 -71.62 -57.86 4.01 Favored 'General case' 0 C--N 1.325 -0.46 0 CA-C-N 115.194 -0.912 . . . . 0.0 110.503 -177.514 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.528 HG21 ' O ' ' A' ' 21' ' ' PHE . 60.3 t -135.13 139.67 46.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.574 0 CA-C-N 115.723 -0.671 . . . . 0.0 109.422 -177.835 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -59.75 136.03 57.87 Favored 'General case' 0 C--N 1.325 -0.476 0 O-C-N 123.418 0.449 . . . . 0.0 111.155 -179.772 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 2.3 p30 -62.15 -20.64 64.31 Favored 'General case' 0 C--N 1.329 -0.285 0 CA-C-N 116.01 -0.541 . . . . 0.0 110.542 176.989 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 32.6 t70 -68.27 -22.94 64.72 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.834 -0.621 . . . . 0.0 110.656 176.671 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 46.7 m -93.03 10.22 32.38 Favored 'General case' 0 C--N 1.325 -0.474 0 CA-C-N 115.92 -0.582 . . . . 0.0 110.394 179.048 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.436 HD11 ' HB2' ' A' ' 37' ' ' PHE . 62.6 mt -112.11 109.77 29.74 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 N-CA-C 108.923 -0.769 . . . . 0.0 108.923 175.457 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 24.0 m -121.41 126.17 26.6 Favored Pre-proline 0 C--N 1.321 -0.657 0 CA-C-N 116.433 -0.348 . . . . 0.0 111.215 -172.911 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 32.5 Cg_exo -55.91 131.24 44.77 Favored 'Trans proline' 0 N--CA 1.464 -0.241 0 C-N-CA 122.677 2.251 . . . . 0.0 111.534 175.662 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.482 ' HA ' ' HB3' ' A' ' 52' ' ' PHE . 9.2 t -64.76 -16.07 62.49 Favored 'General case' 0 C--N 1.327 -0.408 0 CA-C-O 120.776 0.322 . . . . 0.0 111.069 -177.082 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 0.8 OUTLIER -62.92 -30.85 71.87 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 116.108 -0.496 . . . . 0.0 110.704 177.698 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . 0.663 ' HA ' ' HD1' ' A' ' 54' ' ' TRP . 34.2 tt0 -116.85 -16.09 10.62 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-N 115.933 -0.576 . . . . 0.0 110.506 -177.085 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.482 ' HB3' ' HA ' ' A' ' 49' ' ' THR . 67.6 t80 -65.29 -23.12 66.94 Favored 'General case' 0 C--N 1.33 -0.241 0 CA-C-O 121.227 0.537 . . . . 0.0 110.674 179.623 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.597 HG21 ' HB1' ' A' ' 12' ' ' ALA . 35.0 m -79.19 -8.87 11.89 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 115.783 -0.644 . . . . 0.0 111.105 179.755 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.663 ' HD1' ' HA ' ' A' ' 51' ' ' GLU . 97.0 m95 -101.13 136.24 41.29 Favored 'General case' 0 C--N 1.328 -0.367 0 CA-C-O 121.511 0.672 . . . . 0.0 111.187 -176.523 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . 0.482 ' O ' ' HG2' ' A' ' 63' ' ' ARG . 46.1 t -117.92 112.8 20.81 Favored 'General case' 0 C--N 1.318 -0.795 0 CA-C-N 115.345 -0.843 . . . . 0.0 109.678 179.08 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 22.9 t -69.96 121.8 18.08 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.984 0.421 . . . . 0.0 110.507 -178.934 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.45 HG11 ' HD3' ' A' ' 63' ' ' ARG . 18.9 m -115.45 3.88 7.67 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-N 116.082 -0.508 . . . . 0.0 111.004 -178.82 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.544 ' HB2' ' HB ' ' A' ' 61' ' ' VAL . 1.6 mmt180 -161.34 -172.01 3.22 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-N 115.713 -0.676 . . . . 0.0 109.708 178.771 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 4.4 m-20 -58.87 -47.53 84.57 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.081 0.467 . . . . 0.0 110.718 -179.748 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 21.9 t70 -123.13 -22.4 5.18 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.817 -0.628 . . . . 0.0 111.389 -177.075 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.544 ' HB ' ' HB2' ' A' ' 58' ' ' ARG . 30.8 t -80.35 119.47 29.93 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.386 0 CA-C-N 116.241 -0.436 . . . . 0.0 111.191 -176.049 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 65.7 mtt -114.35 158.62 21.24 Favored 'General case' 0 C--N 1.325 -0.492 0 CA-C-N 116.052 -0.522 . . . . 0.0 109.863 176.116 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.482 ' HG2' ' O ' ' A' ' 55' ' ' SER . 29.1 ptt180 -122.13 151.51 40.88 Favored 'General case' 0 C--N 1.322 -0.62 0 N-CA-C 110.222 -0.288 . . . . 0.0 110.222 179.011 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.424 HD22 ' HA ' ' A' ' 64' ' ' LEU . 1.1 tm? -78.07 115.08 17.54 Favored 'General case' 0 C--N 1.322 -0.617 0 N-CA-C 108.685 -0.857 . . . . 0.0 108.685 173.273 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.74 131.88 10.99 Favored Glycine 0 N--CA 1.446 -0.645 0 C-N-CA 120.775 -0.726 . . . . 0.0 113.151 -174.577 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 79.2 mtm-85 -69.46 -18.03 63.68 Favored 'General case' 0 C--N 1.326 -0.438 0 CA-C-O 120.817 0.341 . . . . 0.0 111.472 174.646 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 37.0 mt-10 -67.43 -24.4 65.64 Favored 'General case' 0 C--N 1.328 -0.358 0 N-CA-C 112.231 0.456 . . . . 0.0 112.231 -174.61 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 1.4 pp0? -62.61 -34.92 77.99 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-O 121.214 0.53 . . . . 0.0 110.397 177.786 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 44.5 mt -66.6 -34.08 77.08 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.442 -0.799 . . . . 0.0 110.72 -177.758 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.423 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 11.7 mm100 -60.38 -40.65 91.63 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 115.825 -0.625 . . . . 0.0 110.226 -178.96 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 67.6 mt -75.06 -44.0 44.42 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.508 0 CA-C-N 115.672 -0.694 . . . . 0.0 110.998 179.868 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 71.9 mt -68.07 -32.88 73.52 Favored 'General case' 0 C--O 1.235 0.313 0 N-CA-C 112.215 0.45 . . . . 0.0 112.215 -176.399 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.423 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.3 pp -66.16 -26.3 67.36 Favored 'General case' 0 N--CA 1.464 0.249 0 CA-C-O 120.83 0.347 . . . . 0.0 111.059 -178.076 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 11.5 mm-40 -68.02 -28.45 67.42 Favored 'General case' 0 C--N 1.33 -0.278 0 CA-C-N 116.436 -0.347 . . . . 0.0 111.326 178.866 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 15.5 mm100 -85.77 -37.97 18.72 Favored 'General case' 0 C--N 1.323 -0.578 0 N-CA-C 109.792 -0.448 . . . . 0.0 109.792 177.296 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 21.0 t-20 58.75 55.25 4.77 Favored 'General case' 0 N--CA 1.464 0.23 0 CA-C-O 121.762 0.791 . . . . 0.0 110.446 176.656 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.675 ' HB ' ' HB2' ' A' ' 80' ' ' ARG . 6.9 pt -130.42 49.12 0.46 Allowed 'Isoleucine or valine' 0 C--N 1.321 -0.647 0 CA-C-N 115.184 -0.917 . . . . 0.0 109.542 -176.37 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.56 ' HA ' HD13 ' A' ' 83' ' ' ILE . 25.6 p-10 -53.6 -42.44 67.66 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.401 -0.818 . . . . 0.0 113.095 -171.993 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 42.8 tt0 -78.46 -29.76 47.04 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.181 0.515 . . . . 0.0 110.454 -178.958 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.675 ' HB2' ' HB ' ' A' ' 77' ' ' ILE . 20.8 mtp180 -68.73 -44.02 74.68 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.895 -0.593 . . . . 0.0 111.103 177.09 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.652 HD23 HG11 ' A' ' 30' ' ' VAL . 2.5 tm? -83.63 -19.42 35.48 Favored 'General case' 0 C--N 1.328 -0.35 0 CA-C-N 115.979 -0.555 . . . . 0.0 110.024 -178.62 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.492 ' HB2' ' O ' ' A' ' 81' ' ' LEU . 0.9 OUTLIER 77.41 34.82 0.35 Allowed 'General case' 0 N--CA 1.472 0.652 0 CA-C-N 115.442 -0.799 . . . . 0.0 111.592 178.587 . . . . . . . . 3 3 . 1 . 014 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.644 HD12 ' HB3' ' A' ' 81' ' ' LEU . 2.5 mp -59.76 121.26 7.04 Favored 'Isoleucine or valine' 0 C--O 1.234 0.255 0 CA-C-O 120.928 0.394 . . . . 0.0 110.118 176.855 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.598 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -62.64 155.09 41.62 Favored Glycine 0 N--CA 1.449 -0.453 0 CA-C-N 115.285 -0.87 . . . . 0.0 113.496 -176.038 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.55 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 2.0 mp0 -60.47 -47.75 95.47 Favored Pre-proline 0 C--N 1.323 -0.568 0 N-CA-C 111.918 0.34 . . . . 0.0 111.918 179.451 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.55 ' HD2' ' N ' ' A' ' 85' ' ' GLU . 20.8 Cg_endo -61.59 -15.98 45.15 Favored 'Trans proline' 0 C--N 1.359 1.112 0 C-N-CA 122.261 1.974 . . . . 0.0 112.746 176.921 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.633 HD11 ' HB2' ' A' ' 12' ' ' ALA . 4.1 mm? -72.57 -29.94 63.97 Favored 'General case' 0 C--N 1.325 -0.481 0 CA-C-N 116.331 -0.395 . . . . 0.0 110.177 178.894 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 9.5 mp -74.16 -43.81 55.95 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.262 -0.427 . . . . 0.0 111.199 178.336 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.436 HG22 ' HA ' ' A' ' 86' ' ' PRO . 19.4 m -65.49 -32.71 59.41 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 CA-C-O 120.904 0.383 . . . . 0.0 110.425 -178.61 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.611 ' HB2' HD11 ' A' ' 8' ' ' ILE . 85.4 t80 -56.46 -38.24 71.41 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.63 -0.714 . . . . 0.0 110.981 174.929 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.42 HD13 ' O ' ' A' ' 91' ' ' LEU . 2.9 tm? -73.5 -35.5 65.64 Favored 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 116.229 -0.442 . . . . 0.0 109.923 179.647 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.453 ' HA ' ' NE ' ' A' ' 92' ' ' ARG . 4.0 mmp_? -59.25 -54.29 48.57 Favored 'General case' 0 C--N 1.33 -0.243 0 CA-C-N 116.048 -0.524 . . . . 0.0 111.085 178.909 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.622 ' NH1' ' HA ' ' A' ' 95' ' ' ASP . 3.0 tmm_? -159.95 101.72 1.45 Allowed 'General case' 0 C--N 1.323 -0.577 0 N-CA-C 109.248 -0.649 . . . . 0.0 109.248 178.064 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 5.5 pm0 -66.56 131.05 45.17 Favored 'General case' 0 C--N 1.326 -0.45 0 CA-C-O 121.166 0.508 . . . . 0.0 110.039 179.254 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.651 ' HB2' HG13 ' A' ' 3' ' ' ILE . 33.5 t70 -84.02 -54.41 4.87 Favored 'General case' 0 C--N 1.32 -0.686 0 CA-C-N 115.848 -0.614 . . . . 0.0 109.544 -179.212 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.411 ' HA ' ' HD3' ' A' ' 97' ' ' PRO . 2.8 mm? -90.28 128.2 50.22 Favored Pre-proline 0 C--N 1.322 -0.605 0 N-CA-C 109.024 -0.732 . . . . 0.0 109.024 173.163 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.411 ' HD3' ' HA ' ' A' ' 96' ' ' LEU . 52.3 Cg_exo -54.97 -50.79 12.03 Favored 'Trans proline' 0 C--N 1.344 0.308 0 C-N-CA 122.761 2.307 . . . . 0.0 111.844 -178.958 . . . . . . . . 2 2 . 1 . 014 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.0 mt-10 -134.94 103.81 5.73 Favored 'General case' 0 C--N 1.323 -0.562 0 CA-C-N 115.912 -0.586 . . . . 0.0 109.559 176.775 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 61.2 mt -72.68 107.59 3.5 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.43 0 N-CA-C 109.523 -0.547 . . . . 0.0 109.523 178.33 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 8.0 p -96.64 137.46 35.69 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.547 0.689 . . . . 0.0 112.386 -174.416 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.54 129.71 53.92 Favored 'General case' 0 C--N 1.32 -0.678 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.187 175.495 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 25.3 pt20 -153.03 152.14 31.04 Favored 'General case' 0 C--N 1.317 -0.807 0 N-CA-C 109.296 -0.631 . . . . 0.0 109.296 -176.972 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 24.9 ttm180 -55.95 114.35 1.88 Allowed 'General case' 0 C--N 1.324 -0.54 0 N-CA-C 109.262 -0.644 . . . . 0.0 109.262 176.174 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 29.0 pt20 -59.2 144.07 47.13 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-O 121.182 0.515 . . . . 0.0 111.48 -175.412 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 26.9 tp -75.36 -37.96 60.35 Favored 'General case' 0 C--N 1.322 -0.593 0 CA-C-N 115.653 -0.703 . . . . 0.0 110.543 -175.492 . . . . . . . . 1 1 . 1 . 014 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 52.9 mtp85 . . . . . 0 C--O 1.249 1.055 0 CA-C-O 118.645 -0.693 . . . . 0.0 110.476 177.808 . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 93.2 mmm . . . . . 0 N--CA 1.479 1.005 0 N-CA-C 109.675 -0.491 . . . . 0.0 109.675 . . . . . . . . . 0 0 . 1 . 015 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.9 m -106.44 145.86 31.24 Favored 'General case' 0 C--N 1.32 -0.712 0 CA-C-N 116.525 -0.307 . . . . 0.0 110.498 -178.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.827 HD11 ' HB2' ' A' ' 93' ' ' ARG . 48.2 mm -75.48 145.13 11.17 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.601 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.163 -179.553 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 45.9 p -92.54 178.87 5.68 Favored 'General case' 0 C--N 1.321 -0.637 0 CA-C-O 121.254 0.549 . . . . 0.0 111.612 -177.045 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.415 ' O ' HG22 ' A' ' 8' ' ' ILE . 23.2 t -87.29 -169.61 2.69 Favored 'General case' 0 C--N 1.321 -0.654 0 CA-C-N 115.467 -0.788 . . . . 0.0 109.698 178.182 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 2.8 m -50.76 -21.25 1.55 Allowed 'General case' 0 CA--C 1.537 0.462 0 C-N-CA 123.752 0.821 . . . . 0.0 112.327 -179.15 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 4.7 m-20 -51.62 -27.48 11.43 Favored 'General case' 0 N--CA 1.467 0.403 0 C-N-CA 122.868 0.467 . . . . 0.0 111.354 177.492 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.589 HD11 ' HB2' ' A' ' 90' ' ' TYR . 13.7 tt -56.54 -36.48 48.03 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.269 0 CA-C-O 121.043 0.449 . . . . 0.0 110.969 178.388 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 34.9 t -74.38 -32.16 62.64 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.029 -0.532 . . . . 0.0 110.623 179.695 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 62.5 mm-40 -74.19 -39.43 63.18 Favored 'General case' 0 C--N 1.326 -0.456 0 CA-C-N 115.784 -0.644 . . . . 0.0 110.356 -177.498 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.66 -30.32 71.34 Favored 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 116.001 -0.545 . . . . 0.0 111.443 -179.6 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.484 ' HB1' HG21 ' A' ' 53' ' ' VAL . . . -67.08 -32.63 73.92 Favored 'General case' 0 C--N 1.33 -0.272 0 CA-C-O 121.174 0.511 . . . . 0.0 110.593 177.183 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 17.2 t70 -76.12 -25.24 55.18 Favored 'General case' 0 C--N 1.325 -0.499 0 CA-C-N 115.685 -0.689 . . . . 0.0 109.986 178.096 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -87.71 14.01 9.39 Favored 'General case' 0 C--N 1.327 -0.411 0 CA-C-N 115.37 -0.832 . . . . 0.0 112.263 -175.092 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . . . . . . . . . 80.3 mt -76.33 151.05 36.8 Favored 'General case' 0 C--N 1.328 -0.332 0 N-CA-C 109.959 -0.385 . . . . 0.0 109.959 176.668 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.522 ' O ' ' HG ' ' A' ' 81' ' ' LEU . 8.3 ptpp? -125.04 147.52 48.93 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-O 120.97 0.414 . . . . 0.0 111.244 -178.545 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 124.82 146.72 6.92 Favored Glycine 0 N--CA 1.446 -0.652 0 C-N-CA 120.896 -0.669 . . . . 0.0 112.203 179.677 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 80.5 m-85 -111.64 118.93 37.02 Favored 'General case' 0 C--N 1.323 -0.555 0 N-CA-C 109.36 -0.607 . . . . 0.0 109.36 179.188 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.47 ' HA ' ' HA ' ' A' ' 30' ' ' VAL . 3.0 t -93.7 131.16 41.44 Favored 'Isoleucine or valine' 0 C--N 1.315 -0.919 0 N-CA-C 109.742 -0.466 . . . . 0.0 109.742 -175.257 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.607 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -137.86 160.08 25.19 Favored Glycine 0 N--CA 1.444 -0.772 0 C-N-CA 121.033 -0.603 . . . . 0.0 112.072 -176.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 64.9 t80 -91.82 134.16 35.0 Favored 'General case' 0 C--N 1.321 -0.641 0 CA-C-O 120.929 0.395 . . . . 0.0 110.616 -178.015 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 25.8 t-20 -106.51 111.23 23.7 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 116.109 -0.496 . . . . 0.0 109.684 177.68 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.4 ptp180 -76.34 -8.94 58.18 Favored 'General case' 0 C--N 1.329 -0.302 0 N-CA-C 112.466 0.543 . . . . 0.0 112.466 -174.062 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 40.0 ttmt -81.02 -45.03 17.19 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-O 121.094 0.473 . . . . 0.0 110.376 179.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 16.1 p -92.19 -20.71 20.91 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-N 115.937 -0.574 . . . . 0.0 111.057 179.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.27 34.2 46.69 Favored Glycine 0 N--CA 1.448 -0.514 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.118 179.258 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 20.5 ptt180 -137.13 170.19 16.51 Favored 'General case' 0 C--N 1.327 -0.406 0 CA-C-O 120.96 0.409 . . . . 0.0 111.022 -178.099 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.1 t80 -105.4 113.96 27.84 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 115.695 -0.684 . . . . 0.0 109.332 -176.666 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.78 ' HA ' HE22 ' A' ' 75' ' ' GLN . 2.4 pp -122.68 158.83 26.81 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.368 0 CA-C-O 120.962 0.411 . . . . 0.0 112.084 -172.516 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.639 HG23 HE21 ' A' ' 75' ' ' GLN . 24.5 t -97.61 125.25 50.81 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.387 0 CA-C-N 116.372 -0.376 . . . . 0.0 110.538 -178.081 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 25.1 mmm180 -113.6 141.1 47.6 Favored 'General case' 0 C--N 1.323 -0.583 0 CA-C-N 116.224 -0.444 . . . . 0.0 110.102 176.76 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.9 m-85 -104.9 12.0 32.96 Favored 'General case' 0 C--N 1.319 -0.73 0 CA-C-O 121.56 0.695 . . . . 0.0 109.827 177.109 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 14.8 m -136.04 106.37 6.42 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 114.651 -1.159 . . . . 0.0 109.297 177.961 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 40.0 mt-10 -61.19 -30.52 70.47 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-O 121.07 0.462 . . . . 0.0 111.247 -177.235 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 10.4 m-20 -79.49 15.57 1.26 Allowed 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.002 -0.544 . . . . 0.0 112.038 -173.921 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 61.2 p -96.91 -6.22 36.21 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-O 121.064 0.459 . . . . 0.0 110.33 178.448 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 73.1 m-85 -140.97 118.81 11.76 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 115.696 -0.684 . . . . 0.0 109.545 175.295 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -100.75 -90.61 2.08 Favored Glycine 0 N--CA 1.45 -0.405 0 C-N-CA 120.418 -0.896 . . . . 0.0 112.014 179.028 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.7 ptt? -106.04 11.11 31.88 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-O 121.176 0.512 . . . . 0.0 109.984 178.345 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 10.1 m-20 -84.02 9.47 12.36 Favored 'General case' 0 C--N 1.327 -0.381 0 CA-C-N 115.522 -0.763 . . . . 0.0 110.663 -179.596 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.404 HG22 ' HB2' ' A' ' 45' ' ' SER . 11.6 p -162.44 152.86 3.51 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.626 0 N-CA-C 109.332 -0.618 . . . . 0.0 109.332 179.667 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -68.2 140.13 56.08 Favored 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 110.226 -0.287 . . . . 0.0 110.226 175.787 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 18.3 m-20 -61.03 -32.38 71.99 Favored 'General case' 0 C--N 1.327 -0.402 0 CA-C-O 121.065 0.459 . . . . 0.0 110.57 -179.888 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 2.4 m-20 -68.58 -15.8 63.65 Favored 'General case' 0 C--N 1.329 -0.303 0 CA-C-N 115.715 -0.675 . . . . 0.0 110.919 178.174 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.607 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 67.0 m -94.07 -1.17 54.8 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 116.341 -0.39 . . . . 0.0 111.122 -179.308 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 39.2 mt -105.21 103.18 14.94 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.314 0 N-CA-C 108.705 -0.85 . . . . 0.0 108.705 169.887 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 23.4 m -129.19 123.6 21.76 Favored Pre-proline 0 C--N 1.32 -0.704 0 CA-C-N 116.019 -0.537 . . . . 0.0 110.891 -175.61 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 34.5 Cg_exo -56.73 133.67 59.51 Favored 'Trans proline' 0 N--CA 1.462 -0.352 0 C-N-CA 122.464 2.109 . . . . 0.0 110.901 173.55 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.534 ' HA ' ' HB3' ' A' ' 52' ' ' PHE . 9.6 t -63.39 -17.56 62.76 Favored 'General case' 0 C--N 1.326 -0.44 0 N-CA-C 111.607 0.225 . . . . 0.0 111.607 -175.613 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.3 m -62.44 -47.39 84.26 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 121.169 0.509 . . . . 0.0 109.884 175.766 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 8.6 mp0 -88.41 -17.12 31.15 Favored 'General case' 0 C--N 1.329 -0.317 0 CA-C-N 115.614 -0.721 . . . . 0.0 110.93 179.554 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.534 ' HB3' ' HA ' ' A' ' 49' ' ' THR . 63.4 t80 -63.2 -26.06 68.63 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-N 116.131 -0.486 . . . . 0.0 111.143 -178.097 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.484 HG21 ' HB1' ' A' ' 12' ' ' ALA . 11.5 m -87.03 -5.81 10.35 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-N 116.292 -0.413 . . . . 0.0 110.995 -178.385 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 92.2 m95 -112.36 119.61 38.85 Favored 'General case' 0 C--N 1.331 -0.201 0 CA-C-O 121.1 0.476 . . . . 0.0 111.43 -177.548 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.2 t -99.89 114.04 27.0 Favored 'General case' 0 C--N 1.32 -0.701 0 CA-C-N 116.049 -0.523 . . . . 0.0 109.694 175.529 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 28.7 p -67.16 117.17 8.81 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.342 -0.39 . . . . 0.0 110.207 176.614 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.412 HG11 ' HD3' ' A' ' 63' ' ' ARG . 25.1 m -109.49 -4.9 10.86 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.433 0 C-N-CA 121.043 -0.263 . . . . 0.0 111.566 -177.787 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.477 ' HB3' HG12 ' A' ' 61' ' ' VAL . 0.8 OUTLIER -164.86 -151.58 0.16 Allowed 'General case' 0 C--N 1.329 -0.321 0 N-CA-C 109.973 -0.38 . . . . 0.0 109.973 178.587 . . . . . . . . 3 3 . 1 . 015 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.41 ' H ' ' HG3' ' A' ' 58' ' ' ARG . 29.8 t70 -58.17 -59.28 5.55 Favored 'General case' 0 C--N 1.329 -0.299 0 CA-C-N 115.895 -0.593 . . . . 0.0 112.336 -173.746 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -127.21 -21.86 3.84 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 120.887 0.375 . . . . 0.0 111.143 -178.952 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.477 HG12 ' HB3' ' A' ' 58' ' ' ARG . 8.9 p -71.98 123.82 27.25 Favored 'Isoleucine or valine' 0 C--O 1.238 0.452 0 CA-C-O 121.75 0.786 . . . . 0.0 111.578 -177.49 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 59.1 mtt -117.0 155.13 29.72 Favored 'General case' 0 C--N 1.322 -0.624 0 CA-C-N 115.218 -0.901 . . . . 0.0 109.087 176.175 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.536 ' HG2' HG22 ' A' ' 100' ' ' THR . 30.0 mtp180 -120.55 147.67 44.87 Favored 'General case' 0 C--N 1.322 -0.599 0 CA-C-O 120.632 0.253 . . . . 0.0 110.694 179.54 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.2 tm? -80.58 123.36 28.06 Favored 'General case' 0 C--N 1.328 -0.349 0 CA-C-N 116.08 -0.509 . . . . 0.0 110.124 -177.917 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -99.33 120.39 6.84 Favored Glycine 0 CA--C 1.519 0.292 0 C-N-CA 120.864 -0.684 . . . . 0.0 112.298 178.253 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 19.8 ptp180 -68.1 -18.34 64.62 Favored 'General case' 0 N--CA 1.465 0.316 0 CA-C-O 120.849 0.357 . . . . 0.0 111.578 -178.523 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 44.2 mt-10 -61.78 -24.35 66.79 Favored 'General case' 0 C--N 1.326 -0.454 0 CA-C-N 116.172 -0.467 . . . . 0.0 111.708 -176.737 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.544 ' O ' ' HG ' ' A' ' 72' ' ' LEU . 1.5 pp0? -56.72 -39.49 74.02 Favored 'General case' 0 C--N 1.329 -0.312 0 CA-C-N 116.248 -0.433 . . . . 0.0 110.814 179.704 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.535 HD12 ' HG3' ' A' ' 68' ' ' GLN . 5.8 mp -65.8 -36.4 83.41 Favored 'General case' 0 C--O 1.231 0.104 0 CA-C-O 120.922 0.391 . . . . 0.0 110.696 -178.869 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.619 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 17.2 mt-30 -73.07 -30.98 64.09 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.934 -177.281 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 69.5 mt -74.06 -42.47 52.28 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.814 0 CA-C-O 120.89 0.376 . . . . 0.0 110.165 177.715 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.544 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 59.4 mt -67.44 -28.25 67.73 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 112.286 0.476 . . . . 0.0 112.286 -177.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.619 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.2 pp -66.02 -26.28 67.45 Favored 'General case' 0 N--CA 1.464 0.272 0 C-N-CA 120.912 -0.315 . . . . 0.0 111.047 -178.009 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 49.3 mt-10 -80.91 -18.12 48.24 Favored 'General case' 0 C--N 1.332 -0.168 0 CA-C-O 120.999 0.428 . . . . 0.0 110.769 178.607 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.78 HE22 ' HA ' ' A' ' 29' ' ' ILE . 5.1 mm100 -79.59 -36.35 38.25 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.04 -0.527 . . . . 0.0 109.582 -178.851 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 49.7 m-80 66.42 10.62 7.43 Favored 'General case' 0 N--CA 1.47 0.571 0 CA-C-N 115.351 -0.84 . . . . 0.0 112.245 175.147 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.409 ' H ' HG13 ' A' ' 77' ' ' ILE . 1.9 pp -105.15 40.17 0.23 Allowed 'Isoleucine or valine' 0 C--N 1.324 -0.503 0 CA-C-O 121.578 0.704 . . . . 0.0 110.461 179.83 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.471 ' HA ' HD13 ' A' ' 83' ' ' ILE . 2.1 m-20 -55.96 -32.86 64.25 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.01 -0.995 . . . . 0.0 111.49 -177.745 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 48.8 mt-10 -69.98 -32.04 70.05 Favored 'General case' 0 C--N 1.329 -0.304 0 CA-C-N 116.254 -0.43 . . . . 0.0 111.215 179.751 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 12.2 ttp180 -84.33 -39.15 19.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-O 120.881 0.372 . . . . 0.0 110.854 -174.635 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.522 ' HG ' ' O ' ' A' ' 16' ' ' LYS . 8.0 tt -76.03 -22.52 55.66 Favored 'General case' 0 C--N 1.326 -0.449 0 CA-C-N 116.03 -0.532 . . . . 0.0 110.273 -179.937 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 14.5 m120 61.16 73.66 0.47 Allowed 'General case' 0 C--O 1.235 0.3 0 CA-C-N 115.55 -0.75 . . . . 0.0 110.791 -178.42 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.471 HD13 ' HA ' ' A' ' 78' ' ' ASN . 3.0 mp -77.57 132.16 33.22 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.423 0 CA-C-N 116.084 -0.507 . . . . 0.0 109.689 177.586 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.57 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -61.45 148.34 47.0 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.143 -0.551 . . . . 0.0 112.778 -179.387 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.541 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 43.0 tt0 -63.41 -49.2 79.87 Favored Pre-proline 0 C--N 1.322 -0.618 0 N-CA-C 111.657 0.243 . . . . 0.0 111.657 -179.202 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.541 ' HD2' ' N ' ' A' ' 85' ' ' GLU . 12.4 Cg_endo -56.97 -19.44 32.34 Favored 'Trans proline' 0 C--N 1.359 1.092 0 C-N-CA 122.263 1.975 . . . . 0.0 112.57 176.374 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.57 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.0 mm? -70.12 -36.39 74.77 Favored 'General case' 0 C--N 1.329 -0.284 0 CA-C-O 120.852 0.358 . . . . 0.0 110.039 177.973 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 3.8 mm? -70.9 -32.23 69.11 Favored 'General case' 0 C--N 1.33 -0.263 0 CA-C-O 121.08 0.467 . . . . 0.0 109.855 175.273 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 62.1 t -65.79 -39.73 85.62 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.408 0 CA-C-N 115.757 -0.656 . . . . 0.0 109.957 175.516 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.589 ' HB2' HD11 ' A' ' 8' ' ' ILE . 68.0 t80 -60.28 -32.08 70.84 Favored 'General case' 0 C--N 1.331 -0.23 0 CA-C-N 115.485 -0.779 . . . . 0.0 110.881 177.022 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . . . . . . . . . 52.0 tp -68.81 -28.09 66.44 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.9 -0.591 . . . . 0.0 110.335 178.148 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 41.7 mmm-85 -80.24 -65.17 1.04 Allowed 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 115.823 -0.626 . . . . 0.0 110.228 177.905 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.827 ' HB2' HD11 ' A' ' 3' ' ' ILE . 27.7 mmt180 -142.43 172.52 12.57 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.074 -0.713 . . . . 0.0 109.074 178.549 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.581 ' OE1' ' HA ' ' A' ' 97' ' ' PRO . 5.7 pt20 -146.05 123.59 11.76 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-O 121.346 0.594 . . . . 0.0 111.119 -179.923 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.807 ' HB2' HG21 ' A' ' 3' ' ' ILE . 11.3 t70 -58.48 -50.16 74.73 Favored 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 114.958 -1.019 . . . . 0.0 109.734 179.507 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 92.3 mt -119.7 117.49 32.58 Favored Pre-proline 0 C--N 1.322 -0.599 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.146 174.816 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.581 ' HA ' ' OE1' ' A' ' 94' ' ' GLN . 55.6 Cg_endo -71.52 -24.87 21.77 Favored 'Trans proline' 0 N--CA 1.464 -0.263 0 C-N-CA 122.373 2.048 . . . . 0.0 111.871 -178.226 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 28.3 mt-10 -112.87 84.57 2.01 Favored 'General case' 0 C--N 1.319 -0.721 0 CA-C-N 115.601 -0.727 . . . . 0.0 110.054 -177.913 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 66.4 mt -86.94 114.72 26.58 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.517 0 CA-C-N 116.118 -0.492 . . . . 0.0 110.438 -179.272 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.536 HG22 ' HG2' ' A' ' 63' ' ' ARG . 18.7 p -109.55 149.54 29.5 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.983 -0.553 . . . . 0.0 110.839 178.677 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -133.72 120.17 20.24 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 115.98 -0.554 . . . . 0.0 110.581 178.411 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 20.1 pm0 -152.09 145.97 25.16 Favored 'General case' 0 C--N 1.321 -0.634 0 N-CA-C 109.137 -0.69 . . . . 0.0 109.137 177.422 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 103' ' ' ARG . 7.6 mmm180 -73.31 148.14 43.82 Favored 'General case' 0 C--N 1.321 -0.663 0 CA-C-O 120.837 0.351 . . . . 0.0 110.577 -176.146 . . . . . . . . 2 2 . 1 . 015 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 25.0 pt20 -69.57 97.35 1.02 Allowed 'General case' 0 C--N 1.326 -0.451 0 CA-C-O 121.443 0.639 . . . . 0.0 111.125 -178.984 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 58.1 tp -91.49 -18.99 23.29 Favored 'General case' 0 C--N 1.325 -0.477 0 CA-C-N 115.635 -0.711 . . . . 0.0 109.483 176.187 . . . . . . . . 1 1 . 1 . 015 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . . . . . . . . . 7.4 mpt_? . . . . . 0 C--O 1.25 1.087 0 CA-C-N 115.33 -0.85 . . . . 0.0 109.683 179.502 . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 67.4 mtt . . . . . 0 N--CA 1.481 1.115 0 CA-C-O 120.836 0.35 . . . . 0.0 110.509 . . . . . . . . . 0 0 . 1 . 016 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 29.1 m -108.76 178.43 4.48 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 116.284 -0.416 . . . . 0.0 110.454 -178.548 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.455 HD11 ' O ' ' A' ' 93' ' ' ARG . 47.2 mm -72.2 149.41 9.08 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.321 0 CA-C-N 116.288 -0.415 . . . . 0.0 110.17 -178.787 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 37.5 p -90.79 -176.67 4.76 Favored 'General case' 0 C--N 1.322 -0.626 0 CA-C-N 116.259 -0.428 . . . . 0.0 110.951 -176.288 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 48.7 m -75.09 -171.68 1.45 Allowed 'General case' 0 C--N 1.324 -0.509 0 CA-C-N 116.122 -0.49 . . . . 0.0 110.947 179.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 1.3 m -51.88 -23.02 4.3 Favored 'General case' 0 CA--C 1.534 0.345 0 C-N-CA 123.351 0.66 . . . . 0.0 112.067 -177.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 15.0 m-20 -52.36 -26.25 11.86 Favored 'General case' 0 CA--C 1.533 0.312 0 CA-C-N 116.194 -0.457 . . . . 0.0 111.67 177.177 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.586 HG13 ' HB2' ' A' ' 86' ' ' PRO . 12.8 tt -58.9 -34.37 52.37 Favored 'Isoleucine or valine' 0 CA--C 1.535 0.378 0 CA-C-O 120.908 0.385 . . . . 0.0 110.459 177.732 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 31.5 m -74.99 -35.76 62.01 Favored 'General case' 0 C--N 1.332 -0.186 0 CA-C-N 116.113 -0.494 . . . . 0.0 111.116 -179.301 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.0 mm-40 -74.0 -34.25 64.1 Favored 'General case' 0 C--N 1.328 -0.361 0 CA-C-N 116.419 -0.355 . . . . 0.0 111.148 -177.672 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -65.22 -15.49 62.52 Favored 'General case' 0 C--N 1.327 -0.391 0 CA-C-N 116.298 -0.41 . . . . 0.0 111.658 -178.656 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.541 ' HB1' HG21 ' A' ' 53' ' ' VAL . . . -71.47 -15.92 62.34 Favored 'General case' 0 C--N 1.329 -0.32 0 CA-C-O 121.152 0.501 . . . . 0.0 110.613 176.997 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 19.3 t70 -79.3 -16.39 56.46 Favored 'General case' 0 C--N 1.326 -0.415 0 CA-C-N 115.879 -0.6 . . . . 0.0 110.049 178.222 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -77.32 -15.17 59.54 Favored 'General case' 0 C--O 1.234 0.275 0 CA-C-N 115.803 -0.635 . . . . 0.0 111.16 -179.423 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.522 HD13 ' HA ' ' A' ' 12' ' ' ALA . 10.2 mp -65.19 121.2 14.21 Favored 'General case' 0 C--N 1.329 -0.314 0 N-CA-C 109.375 -0.602 . . . . 0.0 109.375 176.146 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.1 OUTLIER -115.64 144.62 43.66 Favored 'General case' 0 C--N 1.32 -0.694 0 CA-C-N 116.201 -0.454 . . . . 0.0 110.763 -173.36 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.403 ' O ' HG22 ' A' ' 49' ' ' THR . . . 105.66 -173.08 19.91 Favored Glycine 0 N--CA 1.444 -0.825 0 C-N-CA 120.707 -0.758 . . . . 0.0 112.206 -177.932 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.431 ' CZ ' ' HG2' ' A' ' 34' ' ' GLU . 66.9 m-85 -122.45 147.81 45.88 Favored 'General case' 0 C--N 1.319 -0.722 0 CA-C-O 120.941 0.4 . . . . 0.0 110.371 -177.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.55 HG12 ' CD1' ' A' ' 28' ' ' TYR . 11.5 t -105.01 124.03 59.47 Favored 'Isoleucine or valine' 0 C--N 1.317 -0.843 0 N-CA-C 107.745 -1.206 . . . . 0.0 107.745 171.007 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.508 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -124.61 134.18 8.93 Favored Glycine 0 N--CA 1.442 -0.932 0 C-N-CA 120.054 -1.07 . . . . 0.0 112.757 -174.417 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.506 ' HB3' ' HB3' ' A' ' 45' ' ' SER . 83.6 t80 -80.4 102.85 9.88 Favored 'General case' 0 C--N 1.323 -0.552 0 N-CA-C 109.152 -0.684 . . . . 0.0 109.152 176.124 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 41.1 t30 -90.77 109.05 20.24 Favored 'General case' 0 C--N 1.317 -0.819 0 CA-C-N 115.875 -0.602 . . . . 0.0 110.361 -176.313 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.52 ' HG2' HG22 ' A' ' 41' ' ' VAL . 5.9 ptm180 -66.27 -14.03 61.34 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.881 -0.6 . . . . 0.0 111.603 -178.767 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . 0.433 ' HB2' ' HE2' ' A' ' 24' ' ' LYS . 18.0 ttmm -75.31 -35.67 61.22 Favored 'General case' 0 C--N 1.324 -0.505 0 CA-C-O 121.009 0.433 . . . . 0.0 110.25 -178.338 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 21.2 p -100.89 -22.14 14.9 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-N 115.995 -0.548 . . . . 0.0 110.672 175.682 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 82.79 18.21 66.14 Favored Glycine 0 N--CA 1.449 -0.469 0 CA-C-N 115.706 -0.679 . . . . 0.0 111.797 -179.375 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.411 HH11 ' HD3' ' A' ' 27' ' ' ARG . 49.0 mtt180 -140.32 164.98 28.64 Favored 'General case' 0 C--N 1.33 -0.276 0 CA-C-O 120.804 0.335 . . . . 0.0 110.971 -175.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.55 ' CD1' HG12 ' A' ' 19' ' ' VAL . 3.6 m-85 -77.31 135.67 38.42 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.02 -0.537 . . . . 0.0 110.613 173.37 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 pp -132.59 160.03 42.8 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.639 0 CA-C-N 116.145 -0.48 . . . . 0.0 110.714 179.122 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 28.4 m -82.71 135.26 25.2 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.54 0 CA-C-O 121.274 0.559 . . . . 0.0 110.434 176.934 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.546 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 1.1 tpm_? -138.03 132.44 32.18 Favored 'General case' 0 C--N 1.318 -0.788 0 N-CA-C 109.807 -0.442 . . . . 0.0 109.807 -179.034 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 96.4 m-85 -116.23 10.48 14.86 Favored 'General case' 0 C--N 1.322 -0.616 0 CA-C-O 121.16 0.505 . . . . 0.0 110.479 -178.28 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.584 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 7.1 m -118.52 116.66 27.12 Favored 'General case' 0 C--N 1.323 -0.557 0 CA-C-N 115.68 -0.691 . . . . 0.0 109.869 -179.806 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.431 ' HG2' ' CZ ' ' A' ' 18' ' ' PHE . 34.3 mt-10 -69.75 -27.69 65.15 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.949 -0.569 . . . . 0.0 111.331 -176.675 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.8 p-10 -100.89 13.34 35.4 Favored 'General case' 0 C--N 1.326 -0.455 0 CA-C-N 115.984 -0.553 . . . . 0.0 110.59 -177.813 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.584 ' HB2' ' HB2' ' A' ' 33' ' ' SER . 5.0 t -55.83 -58.65 6.96 Favored 'General case' 0 C--N 1.329 -0.319 0 CA-C-N 115.795 -0.639 . . . . 0.0 112.081 -172.151 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 75.0 m-85 -89.34 138.46 31.42 Favored 'General case' 0 C--N 1.325 -0.493 0 CA-C-O 120.778 0.323 . . . . 0.0 110.872 -174.738 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.74 -94.25 0.73 Allowed Glycine 0 N--CA 1.448 -0.548 0 C-N-CA 120.809 -0.71 . . . . 0.0 111.996 178.605 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -132.65 -3.19 3.32 Favored 'General case' 0 C--N 1.322 -0.595 0 CA-C-O 120.655 0.264 . . . . 0.0 111.285 178.756 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.518 ' O ' ' HD3' ' A' ' 23' ' ' ARG . 31.4 t70 -65.64 -46.11 80.48 Favored 'General case' 0 C--N 1.332 -0.165 0 N-CA-C 109.789 -0.448 . . . . 0.0 109.789 174.211 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.52 HG22 ' HG2' ' A' ' 23' ' ' ARG . 49.7 t -106.33 136.07 42.28 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.404 0 CA-C-N 115.651 -0.704 . . . . 0.0 109.785 177.016 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -67.51 141.93 56.74 Favored 'General case' 0 C--N 1.326 -0.448 0 CA-C-N 116.133 -0.485 . . . . 0.0 111.731 -178.444 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.3 p30 -73.27 -18.85 61.17 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.044 -0.525 . . . . 0.0 109.885 177.374 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.8 m-20 -68.42 -16.04 63.77 Favored 'General case' 0 C--N 1.329 -0.323 0 CA-C-N 115.729 -0.669 . . . . 0.0 110.112 176.246 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.508 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 49.8 m -91.57 1.21 57.3 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 115.742 -0.663 . . . . 0.0 110.715 179.296 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 63.8 mt -99.8 118.39 46.35 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.222 0 N-CA-C 109.76 -0.459 . . . . 0.0 109.76 175.245 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 38.2 m -137.41 124.6 13.87 Favored Pre-proline 0 C--N 1.319 -0.755 0 CA-C-N 116.54 -0.3 . . . . 0.0 110.519 179.003 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 50.1 Cg_exo -52.47 132.97 47.34 Favored 'Trans proline' 0 C--N 1.346 0.416 0 C-N-CA 122.569 2.179 . . . . 0.0 111.194 177.712 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.472 HG23 ' HB3' ' A' ' 15' ' ' LEU . 10.0 t -65.33 -25.06 67.44 Favored 'General case' 0 C--N 1.326 -0.448 0 N-CA-C 111.757 0.28 . . . . 0.0 111.757 -173.024 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 37.0 t -70.87 -30.4 66.77 Favored 'General case' 0 C--N 1.326 -0.429 0 CA-C-O 120.926 0.393 . . . . 0.0 110.288 177.173 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 6.9 tp10 -90.54 -32.16 16.43 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 121.253 0.549 . . . . 0.0 110.185 179.736 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 83.6 t80 -58.33 -29.92 66.3 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 115.209 -0.905 . . . . 0.0 111.908 -175.471 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.541 HG21 ' HB1' ' A' ' 12' ' ' ALA . 19.0 m -77.84 -20.34 13.78 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.489 0 CA-C-O 120.792 0.33 . . . . 0.0 111.353 -177.667 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.407 ' HB3' ' HB3' ' A' ' 62' ' ' MET . 98.0 m95 -102.83 136.71 42.15 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 120.943 0.401 . . . . 0.0 110.934 -178.261 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.7 m -114.63 105.89 13.59 Favored 'General case' 0 C--N 1.318 -0.79 0 CA-C-N 116.187 -0.46 . . . . 0.0 109.898 174.373 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 23.3 t -71.3 115.26 10.25 Favored 'General case' 0 C--N 1.329 -0.306 0 N-CA-C 108.934 -0.765 . . . . 0.0 108.934 177.281 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 21.8 m -123.22 -30.1 1.4 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.419 0 N-CA-C 112.829 0.677 . . . . 0.0 112.829 -171.819 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 58.3 ttt-85 -147.58 124.34 11.2 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.686 -0.405 . . . . 0.0 111.179 -172.257 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 16.4 m-20 51.82 -102.61 0.13 Allowed 'General case' 0 N--CA 1.469 0.502 0 O-C-N 123.627 0.58 . . . . 0.0 111.698 178.528 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.737 ' HB3' ' HG2' ' A' ' 103' ' ' ARG . 10.9 m-20 -127.44 21.35 6.62 Favored 'General case' 0 C--N 1.325 -0.469 0 N-CA-C 109.028 -0.73 . . . . 0.0 109.028 179.307 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.793 ' HA ' ' HA ' ' A' ' 102' ' ' GLN . 5.2 t -102.03 118.16 48.44 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.403 -0.817 . . . . 0.0 110.499 -176.828 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.407 ' HB3' ' HB3' ' A' ' 54' ' ' TRP . 2.5 mpp? -106.68 128.12 53.93 Favored 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.019 -0.734 . . . . 0.0 109.019 177.086 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.56 ' HA ' ' HA ' ' A' ' 100' ' ' THR . 3.6 ptm180 -100.11 147.71 25.37 Favored 'General case' 0 C--N 1.315 -0.906 0 C-N-CA 119.754 -0.778 . . . . 0.0 109.693 178.458 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.3 tm? -70.3 113.63 7.65 Favored 'General case' 0 C--N 1.321 -0.646 0 N-CA-C 109.079 -0.712 . . . . 0.0 109.079 -178.68 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -75.87 94.95 1.0 Allowed Glycine 0 N--CA 1.441 -1.018 0 N-CA-C 110.969 -0.852 . . . . 0.0 110.969 178.774 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 0.1 OUTLIER -56.14 -15.76 4.19 Favored 'General case' 0 N--CA 1.465 0.312 0 CA-C-O 120.976 0.417 . . . . 0.0 112.051 -176.276 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.5 pt-20 -65.88 -24.43 66.86 Favored 'General case' 0 C--N 1.325 -0.461 0 CA-C-N 116.1 -0.5 . . . . 0.0 111.132 176.138 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.471 ' HG3' HD12 ' A' ' 69' ' ' LEU . 0.0 OUTLIER -59.28 -38.46 80.23 Favored 'General case' 0 N--CA 1.463 0.203 0 CA-C-O 120.696 0.284 . . . . 0.0 110.741 -178.928 . . . . . . . . 3 3 . 1 . 016 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.471 HD12 ' HG3' ' A' ' 68' ' ' GLN . 3.9 mp -73.61 -33.29 64.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.746 0.308 . . . . 0.0 110.274 -176.866 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.461 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 14.6 mm100 -67.89 -33.98 75.77 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-N 116.026 -0.534 . . . . 0.0 110.159 178.29 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 73.7 mt -75.37 -46.79 37.13 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 CA-C-N 116.088 -0.505 . . . . 0.0 111.113 176.537 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.462 ' HG ' ' O ' ' A' ' 68' ' ' GLN . 25.4 mt -67.93 -25.06 65.28 Favored 'General case' 0 C--O 1.223 -0.297 0 N-CA-C 112.483 0.549 . . . . 0.0 112.483 -173.886 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.461 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.4 pp -62.95 -24.46 67.89 Favored 'General case' 0 C--N 1.327 -0.411 0 C-N-CA 120.858 -0.337 . . . . 0.0 111.537 -177.921 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.407 ' N ' HD12 ' A' ' 73' ' ' LEU . 35.0 mt-10 -74.78 -18.91 60.4 Favored 'General case' 0 C--O 1.233 0.224 0 CA-C-O 121.034 0.445 . . . . 0.0 110.464 176.107 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 29.2 mm-40 -100.72 87.61 3.38 Favored 'General case' 0 C--N 1.327 -0.41 0 N-CA-C 108.779 -0.823 . . . . 0.0 108.779 172.308 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 15.5 m120 -70.31 -8.26 49.03 Favored 'General case' 0 C--N 1.328 -0.366 0 CA-C-N 116.239 -0.437 . . . . 0.0 111.989 -171.761 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.401 ' H ' HG13 ' A' ' 77' ' ' ILE . 1.3 pp -79.79 67.63 0.43 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.581 0 CA-C-O 121.3 0.571 . . . . 0.0 112.275 -177.656 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.525 ' HA ' HD13 ' A' ' 83' ' ' ILE . 52.7 m-80 -64.92 -27.87 69.14 Favored 'General case' 0 C--N 1.327 -0.398 0 N-CA-C 109.195 -0.668 . . . . 0.0 109.195 174.002 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 11.9 tp10 -60.45 -33.24 72.26 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 114.858 -1.065 . . . . 0.0 110.941 174.878 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . . . . . . . . . 65.0 ttt180 -87.42 -54.01 4.51 Favored 'General case' 0 C--N 1.327 -0.401 0 CA-C-N 115.797 -0.638 . . . . 0.0 111.3 -172.417 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . . . . . . . . . 31.7 tp -79.12 -19.88 50.02 Favored 'General case' 0 C--N 1.325 -0.472 0 CA-C-N 116.016 -0.538 . . . . 0.0 110.903 -176.851 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 8.1 t30 63.83 85.24 0.14 Allowed 'General case' 0 C--N 1.33 -0.262 0 CA-C-N 115.361 -0.836 . . . . 0.0 111.125 -177.629 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.525 HD13 ' HA ' ' A' ' 78' ' ' ASN . 2.7 mp -94.42 132.68 37.8 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.688 0 N-CA-C 108.976 -0.75 . . . . 0.0 108.976 174.587 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.611 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -56.22 148.03 29.91 Favored Glycine 0 C--N 1.33 0.209 0 CA-C-N 116.202 -0.454 . . . . 0.0 113.394 -175.678 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.452 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 4.0 mp0 -57.79 -52.75 72.12 Favored Pre-proline 0 C--N 1.324 -0.506 0 C-N-CA 122.463 0.305 . . . . 0.0 111.683 -178.045 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.586 ' HB2' HG13 ' A' ' 8' ' ' ILE . 20.2 Cg_endo -62.33 -17.3 56.64 Favored 'Trans proline' 0 C--N 1.358 1.051 0 C-N-CA 121.903 1.735 . . . . 0.0 112.349 177.104 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.611 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 4.0 mm? -70.23 -41.61 73.34 Favored 'General case' 0 C--N 1.327 -0.378 0 N-CA-C 109.308 -0.627 . . . . 0.0 109.308 175.164 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.53 ' HA ' HD23 ' A' ' 91' ' ' LEU . 8.6 mp -64.69 -31.2 72.31 Favored 'General case' 0 C--O 1.231 0.13 0 CA-C-N 116.279 -0.419 . . . . 0.0 109.948 173.594 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.594 ' O ' ' HB2' ' A' ' 92' ' ' ARG . 85.3 t -62.77 -34.33 65.11 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.357 0 CA-C-N 115.899 -0.592 . . . . 0.0 110.191 174.511 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . . . . . . . . . 32.7 t80 -64.17 -36.76 85.12 Favored 'General case' 0 CA--C 1.535 0.396 0 N-CA-C 110.075 -0.343 . . . . 0.0 110.075 175.518 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.53 HD23 ' HA ' ' A' ' 88' ' ' LEU . 2.6 mm? -65.4 -23.95 67.09 Favored 'General case' 0 N--CA 1.469 0.486 0 CA-C-N 116.411 -0.358 . . . . 0.0 111.096 177.171 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.594 ' HB2' ' O ' ' A' ' 89' ' ' VAL . 8.5 mmm180 -59.64 -52.39 65.74 Favored 'General case' 0 C--N 1.328 -0.368 0 CA-C-N 116.244 -0.434 . . . . 0.0 110.471 177.602 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.455 ' O ' HD11 ' A' ' 3' ' ' ILE . 13.4 tpt180 -163.14 123.64 2.31 Favored 'General case' 0 N--CA 1.448 -0.573 0 CA-C-N 115.87 -0.605 . . . . 0.0 109.538 -179.545 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 23.5 pt20 -78.08 72.19 4.6 Favored 'General case' 0 C--N 1.325 -0.495 0 CA-C-O 121.669 0.747 . . . . 0.0 110.114 178.602 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.469 ' O ' ' HD3' ' A' ' 97' ' ' PRO . 20.8 t70 -66.26 -46.87 75.57 Favored 'General case' 0 C--N 1.327 -0.405 0 CA-C-N 115.253 -0.885 . . . . 0.0 110.782 -179.733 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.715 HD23 HG12 ' A' ' 99' ' ' ILE . 35.4 tp -97.04 103.12 13.98 Favored Pre-proline 0 C--N 1.325 -0.498 0 N-CA-C 109.312 -0.625 . . . . 0.0 109.312 176.457 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . 0.469 ' HD3' ' O ' ' A' ' 95' ' ' ASP . 8.5 Cg_exo -72.18 -24.1 20.46 Favored 'Trans proline' 0 N--CA 1.462 -0.34 0 C-N-CA 122.824 2.35 . . . . 0.0 112.248 -176.155 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 41.2 mt-10 -128.51 94.72 3.94 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 116.27 -0.423 . . . . 0.0 111.49 -176.932 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.715 HG12 HD23 ' A' ' 96' ' ' LEU . 54.7 mt -94.19 120.38 43.51 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.637 0 CA-C-N 116.007 -0.542 . . . . 0.0 109.557 171.562 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.56 ' HA ' ' HA ' ' A' ' 63' ' ' ARG . 4.4 m -133.41 120.93 21.56 Favored 'General case' 0 C--N 1.321 -0.672 0 N-CA-C 110.122 -0.325 . . . . 0.0 110.122 178.943 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -127.8 124.65 38.16 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 121.153 0.502 . . . . 0.0 111.16 -176.683 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.793 ' HA ' ' HA ' ' A' ' 61' ' ' VAL . 30.2 pt20 -86.44 149.17 25.18 Favored 'General case' 0 C--N 1.321 -0.66 0 CA-C-N 116.037 -0.529 . . . . 0.0 110.047 178.877 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.737 ' HG2' ' HB3' ' A' ' 60' ' ' ASP . 5.1 ptm180 -89.03 121.46 31.4 Favored 'General case' 0 C--N 1.318 -0.762 0 N-CA-C 108.949 -0.76 . . . . 0.0 108.949 173.947 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.8 pt20 -99.87 83.11 2.68 Favored 'General case' 0 C--N 1.318 -0.767 0 CA-C-O 121.234 0.54 . . . . 0.0 111.311 -172.867 . . . . . . . . 1 1 . 1 . 016 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.796 HD23 ' H ' ' A' ' 105' ' ' LEU . 1.6 pt? -89.51 20.78 3.73 Favored 'General case' 0 C--N 1.324 -0.532 0 CA-C-N 115.885 -0.598 . . . . 0.0 109.851 174.907 . . . . . . . . 2 2 . 1 . 016 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.422 ' N ' ' HD2' ' A' ' 106' ' ' ARG . 7.6 mpt_? . . . . . 0 C--O 1.248 1.013 0 CA-C-O 118.433 -0.794 . . . . 0.0 109.823 178.328 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 21.8 mmt . . . . . 0 N--CA 1.48 1.059 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 . . . . . . . . . 0 0 . 1 . 017 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 32.9 m -103.48 177.87 4.72 Favored 'General case' 0 C--N 1.32 -0.68 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.451 -179.309 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.661 HG13 ' HB2' ' A' ' 95' ' ' ASP . 33.4 mm -81.74 159.9 3.9 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.582 0 N-CA-C 109.784 -0.45 . . . . 0.0 109.784 178.248 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . 0.4 ' N ' HG22 ' A' ' 3' ' ' ILE . 35.0 p -92.5 -175.32 3.95 Favored 'General case' 0 C--N 1.322 -0.615 0 CA-C-O 121.076 0.465 . . . . 0.0 111.501 -176.458 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 6.7 m -75.04 -170.25 1.09 Allowed 'General case' 0 C--N 1.323 -0.584 0 CA-C-N 115.688 -0.687 . . . . 0.0 110.326 178.444 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 16.0 m -51.2 -22.4 2.6 Favored 'General case' 0 N--CA 1.466 0.336 0 C-N-CA 123.065 0.546 . . . . 0.0 111.766 179.128 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -51.87 -20.56 2.33 Favored 'General case' 0 C--N 1.332 -0.194 0 CA-C-N 116.039 -0.528 . . . . 0.0 111.717 177.43 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.622 HD11 ' HB2' ' A' ' 90' ' ' TYR . 16.2 tt -55.23 -47.7 77.33 Favored 'Isoleucine or valine' 0 CA--C 1.538 0.495 0 N-CA-C 111.535 0.198 . . . . 0.0 111.535 178.527 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 26.7 p -76.04 -29.65 58.13 Favored 'General case' 0 C--N 1.331 -0.223 0 CA-C-O 121.032 0.444 . . . . 0.0 110.375 177.945 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 84.1 mm-40 -63.21 -41.13 99.1 Favored 'General case' 0 C--N 1.33 -0.273 0 CA-C-N 115.768 -0.651 . . . . 0.0 110.569 179.284 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -63.57 -35.13 79.47 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-N 115.849 -0.614 . . . . 0.0 110.865 178.315 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.439 ' HB2' HD11 ' A' ' 87' ' ' LEU . . . -66.95 -30.49 70.63 Favored 'General case' 0 C--N 1.329 -0.305 0 CA-C-O 121.02 0.438 . . . . 0.0 110.851 179.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 20.0 t70 -75.01 -28.08 60.36 Favored 'General case' 0 C--N 1.324 -0.519 0 CA-C-N 115.98 -0.555 . . . . 0.0 110.69 178.148 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -88.06 5.78 39.39 Favored 'General case' 0 C--N 1.325 -0.482 0 CA-C-N 116.126 -0.488 . . . . 0.0 111.855 -176.69 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.538 HD22 ' O ' ' A' ' 82' ' ' ASN . 58.2 mt -71.36 128.73 36.84 Favored 'General case' 0 C--N 1.327 -0.378 0 CA-C-O 120.828 0.347 . . . . 0.0 110.869 -179.252 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 17.7 ptpt -114.08 145.21 41.93 Favored 'General case' 0 C--N 1.324 -0.502 0 CA-C-N 116.318 -0.401 . . . . 0.0 110.971 -179.127 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.578 ' O ' ' HA ' ' A' ' 48' ' ' PRO . . . 133.12 149.12 6.07 Favored Glycine 0 N--CA 1.45 -0.379 0 N-CA-C 111.006 -0.837 . . . . 0.0 111.006 -177.301 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 53.4 m-85 -111.46 131.77 54.97 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-N 117.324 0.562 . . . . 0.0 110.942 -175.231 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 32.0 t -108.82 140.38 27.71 Favored 'Isoleucine or valine' 0 C--N 1.318 -0.783 0 N-CA-C 109.418 -0.586 . . . . 0.0 109.418 177.377 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -150.15 176.22 28.88 Favored Glycine 0 N--CA 1.447 -0.612 0 C-N-CA 121.008 -0.615 . . . . 0.0 111.65 179.684 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 78.1 t80 -111.97 114.44 27.34 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-O 120.907 0.384 . . . . 0.0 110.503 -179.821 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 27.4 t-20 -87.86 107.12 18.53 Favored 'General case' 0 C--N 1.325 -0.481 0 N-CA-C 109.257 -0.646 . . . . 0.0 109.257 177.751 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.657 ' HG2' ' HB3' ' A' ' 40' ' ' ASP . 9.8 ptp180 -77.86 -13.13 59.99 Favored 'General case' 0 C--N 1.325 -0.461 0 N-CA-C 112.545 0.572 . . . . 0.0 112.545 -171.606 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 37.5 ttpt -68.94 -46.63 67.74 Favored 'General case' 0 C--N 1.329 -0.29 0 CA-C-O 121.1 0.476 . . . . 0.0 109.742 176.384 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 33.0 p -88.07 -25.3 23.12 Favored 'General case' 0 C--N 1.325 -0.488 0 CA-C-N 115.923 -0.58 . . . . 0.0 110.552 177.834 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 78.89 29.68 50.64 Favored Glycine 0 N--CA 1.447 -0.59 0 N-CA-C 111.371 -0.692 . . . . 0.0 111.371 -177.947 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 61.4 mtm180 -130.24 159.77 35.88 Favored 'General case' 0 C--N 1.328 -0.345 0 CA-C-O 120.882 0.372 . . . . 0.0 110.877 -176.086 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 2.9 m-85 -79.23 141.81 36.79 Favored 'General case' 0 C--N 1.323 -0.568 0 CA-C-N 115.751 -0.659 . . . . 0.0 110.421 173.996 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 31.7 pt -129.01 156.74 41.83 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.576 0 CA-C-N 115.949 -0.569 . . . . 0.0 110.965 -176.531 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.79 HG11 ' HG ' ' A' ' 81' ' ' LEU . 59.2 t -117.99 114.93 46.8 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.569 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.528 173.971 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.735 ' HG3' ' H ' ' A' ' 33' ' ' SER . 28.2 tpt180 -123.63 147.0 47.77 Favored 'General case' 0 C--N 1.319 -0.734 0 CA-C-N 115.766 -0.652 . . . . 0.0 109.756 -175.668 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 29.0 m-85 -112.55 9.94 19.53 Favored 'General case' 0 C--N 1.321 -0.648 0 CA-C-O 121.512 0.673 . . . . 0.0 109.777 -179.549 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.735 ' H ' ' HG3' ' A' ' 31' ' ' ARG . 14.7 m -124.42 118.8 27.5 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.087 -0.961 . . . . 0.0 110.042 -179.417 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . 0.411 ' O ' ' HD1' ' A' ' 37' ' ' PHE . 43.4 mt-10 -69.3 -22.06 63.82 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 120.882 0.373 . . . . 0.0 110.73 178.118 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 6.0 m-20 -80.23 11.7 3.36 Favored 'General case' 0 C--N 1.325 -0.47 0 CA-C-N 116.293 -0.412 . . . . 0.0 111.755 -175.872 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 21.6 m -99.45 -0.95 39.74 Favored 'General case' 0 C--N 1.324 -0.519 0 N-CA-C 112.462 0.541 . . . . 0.0 112.462 -173.847 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.413 ' HD2' ' O ' ' A' ' 41' ' ' VAL . 4.4 p90 -95.61 132.74 40.45 Favored 'General case' 0 C--N 1.325 -0.483 0 C-N-CA 120.113 -0.635 . . . . 0.0 109.917 179.418 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -108.49 -114.14 3.73 Favored Glycine 0 N--CA 1.447 -0.577 0 C-N-CA 120.73 -0.748 . . . . 0.0 111.905 -179.44 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 25.9 mmt -102.97 -10.27 19.11 Favored 'General case' 0 C--N 1.324 -0.517 0 CA-C-O 121.018 0.437 . . . . 0.0 110.236 178.824 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.657 ' HB3' ' HG2' ' A' ' 23' ' ' ARG . 7.1 m-20 -83.27 -60.46 2.14 Favored 'General case' 0 CA--C 1.513 -0.461 0 CA-C-N 115.836 -0.62 . . . . 0.0 110.169 -178.778 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.413 ' O ' ' HD2' ' A' ' 37' ' ' PHE . 57.7 t -85.89 114.16 25.17 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.735 0 CA-C-N 115.243 -0.889 . . . . 0.0 110.761 -177.244 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -79.41 154.37 29.02 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.33 -0.619 . . . . 0.0 109.33 172.206 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.2 p-10 -66.86 -13.91 62.14 Favored 'General case' 0 C--N 1.326 -0.441 0 CA-C-O 120.726 0.298 . . . . 0.0 110.986 -178.125 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 7.3 m-20 -68.14 -27.61 66.59 Favored 'General case' 0 C--N 1.329 -0.295 0 CA-C-O 121.026 0.441 . . . . 0.0 110.219 176.466 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 47.6 t -85.65 -14.01 46.88 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.904 -0.589 . . . . 0.0 110.471 179.861 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 66.3 mt -83.11 110.32 17.94 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.347 0 CA-C-O 121.053 0.454 . . . . 0.0 110.093 179.52 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 72.1 m -136.95 124.59 14.38 Favored Pre-proline 0 C--N 1.318 -0.803 0 CA-C-N 116.175 -0.466 . . . . 0.0 110.679 -179.344 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.578 ' HA ' ' O ' ' A' ' 17' ' ' GLY . 32.1 Cg_exo -57.64 143.15 95.57 Favored 'Trans proline' 0 N--CA 1.462 -0.37 0 C-N-CA 122.627 2.218 . . . . 0.0 111.387 175.587 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.43 ' HA ' ' HB3' ' A' ' 52' ' ' PHE . 6.6 t -61.44 -21.51 64.21 Favored 'General case' 0 C--N 1.327 -0.39 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -175.154 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 35.2 t -62.68 -56.75 14.82 Favored 'General case' 0 C--N 1.33 -0.255 0 CA-C-O 121.181 0.515 . . . . 0.0 110.08 174.737 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 27.9 tt0 -75.64 -11.62 60.04 Favored 'General case' 0 C--N 1.325 -0.476 0 CA-C-N 115.829 -0.623 . . . . 0.0 110.75 -178.878 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.43 ' HB3' ' HA ' ' A' ' 49' ' ' THR . 80.7 t80 -75.64 -40.04 56.81 Favored 'General case' 0 C--N 1.324 -0.513 0 CA-C-N 115.776 -0.647 . . . . 0.0 111.103 -178.757 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.427 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 34.9 m -79.33 -13.32 13.38 Favored 'Isoleucine or valine' 0 C--N 1.332 -0.195 0 N-CA-C 112.17 0.433 . . . . 0.0 112.17 -175.339 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 97.6 m95 -96.71 133.29 41.44 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 120.979 0.418 . . . . 0.0 110.879 -179.888 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 48.8 m -118.3 113.49 21.54 Favored 'General case' 0 C--N 1.321 -0.649 0 CA-C-N 115.944 -0.571 . . . . 0.0 110.311 177.179 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.403 ' HA ' ' HA ' ' A' ' 62' ' ' MET . 17.1 m -76.88 115.02 16.3 Favored 'General case' 0 C--N 1.323 -0.572 0 CA-C-N 116.17 -0.468 . . . . 0.0 110.353 179.995 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 24.0 m -95.55 -25.09 4.54 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.454 0 CA-C-O 120.971 0.415 . . . . 0.0 111.05 -178.961 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . . . . . . . . . 17.4 tpp180 -113.38 -73.34 0.67 Allowed 'General case' 0 C--N 1.323 -0.583 0 N-CA-C 109.58 -0.526 . . . . 0.0 109.58 178.51 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 28.5 t70 -170.13 -64.39 0.02 OUTLIER 'General case' 0 C--N 1.328 -0.34 0 N-CA-C 109.182 -0.673 . . . . 0.0 109.182 175.599 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 39.1 m-20 -84.55 -34.82 23.17 Favored 'General case' 0 C--N 1.328 -0.331 0 N-CA-C 108.964 -0.754 . . . . 0.0 108.964 172.374 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . . . . . . . . . 35.3 t -72.05 108.59 3.64 Favored 'Isoleucine or valine' 0 C--O 1.237 0.425 0 CA-C-N 115.213 -0.903 . . . . 0.0 110.85 -179.934 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.403 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 44.7 mtm -111.99 145.14 40.17 Favored 'General case' 0 C--N 1.324 -0.531 0 CA-C-N 115.738 -0.665 . . . . 0.0 109.948 178.015 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.513 ' HG2' HG22 ' A' ' 100' ' ' THR . 43.1 mtp180 -109.89 148.19 32.01 Favored 'General case' 0 C--N 1.323 -0.572 0 N-CA-C 109.558 -0.534 . . . . 0.0 109.558 175.99 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.4 tm? -78.02 113.46 15.97 Favored 'General case' 0 C--N 1.324 -0.534 0 N-CA-C 109.226 -0.657 . . . . 0.0 109.226 176.883 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -92.48 107.56 3.53 Favored Glycine 0 N--CA 1.447 -0.591 0 C-N-CA 120.678 -0.772 . . . . 0.0 112.137 -178.519 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.535 ' HA ' HD13 ' A' ' 69' ' ' LEU . 2.2 ppt_? -69.91 -18.59 63.4 Favored 'General case' 0 C--N 1.322 -0.621 0 O-C-N 122.319 -0.518 . . . . 0.0 111.912 179.459 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . 0.446 ' N ' ' HD2' ' A' ' 66' ' ' ARG . 7.0 mm-40 -63.03 -24.9 68.13 Favored 'General case' 0 C--N 1.329 -0.3 0 CA-C-O 121.319 0.581 . . . . 0.0 110.531 177.561 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.427 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 10.1 mm-40 -70.34 -41.99 72.48 Favored 'General case' 0 C--N 1.32 -0.684 0 CA-C-N 114.953 -1.021 . . . . 0.0 110.039 -179.133 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.535 HD13 ' HA ' ' A' ' 66' ' ' ARG . 7.6 mp -64.45 -28.77 69.9 Favored 'General case' 0 C--N 1.33 -0.249 0 CA-C-N 115.414 -0.812 . . . . 0.0 110.438 -179.374 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . . . . . . . . . 15.7 mm100 -62.82 -34.43 77.29 Favored 'General case' 0 C--N 1.329 -0.311 0 CA-C-N 116.0 -0.545 . . . . 0.0 110.798 179.702 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 54.2 mt -74.89 -33.14 29.27 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.38 0 CA-C-O 121.185 0.517 . . . . 0.0 110.354 177.925 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 84.7 mt -74.48 -43.9 53.94 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.936 -0.575 . . . . 0.0 111.414 -176.486 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 4.5 pp -61.05 -24.23 66.05 Favored 'General case' 0 C--O 1.234 0.25 0 N-CA-C 111.994 0.368 . . . . 0.0 111.994 -175.572 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 36.6 mt-10 -58.6 -34.1 70.73 Favored 'General case' 0 C--O 1.232 0.133 0 CA-C-O 120.902 0.382 . . . . 0.0 110.439 177.937 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 42.5 mm-40 -98.21 96.0 7.79 Favored 'General case' 0 C--N 1.324 -0.523 0 N-CA-C 108.405 -0.961 . . . . 0.0 108.405 175.8 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.9 t-20 -79.47 82.62 5.58 Favored 'General case' 0 C--N 1.328 -0.351 0 CA-C-O 121.243 0.544 . . . . 0.0 112.456 -167.042 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.486 ' HB ' ' HB3' ' A' ' 80' ' ' ARG . 1.0 OUTLIER -149.08 76.32 0.08 OUTLIER 'Isoleucine or valine' 0 C--N 1.323 -0.546 0 CA-C-N 115.492 -0.777 . . . . 0.0 109.946 169.842 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 5.1 m-20 -52.95 -44.38 67.05 Favored 'General case' 0 N--CA 1.465 0.281 0 CA-C-N 115.22 -0.9 . . . . 0.0 112.093 -174.697 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 27.7 tt0 -75.94 -36.97 59.16 Favored 'General case' 0 C--N 1.325 -0.492 0 C-N-CA 120.895 -0.322 . . . . 0.0 111.066 -176.733 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.486 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 64.3 ttt180 -71.01 -51.03 27.79 Favored 'General case' 0 C--N 1.329 -0.298 0 CA-C-O 120.895 0.378 . . . . 0.0 110.364 -176.74 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.79 ' HG ' HG11 ' A' ' 30' ' ' VAL . 2.0 tt -68.46 -25.13 64.84 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.08 -0.711 . . . . 0.0 109.08 178.203 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.538 ' O ' HD22 ' A' ' 15' ' ' LEU . 3.3 t-20 70.98 76.97 0.18 Allowed 'General case' 0 C--N 1.33 -0.248 0 CA-C-N 114.799 -1.091 . . . . 0.0 110.963 179.647 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.485 ' CD1' ' HB3' ' A' ' 81' ' ' LEU . 3.1 mp -104.01 125.75 58.68 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.545 0 N-CA-C 108.569 -0.9 . . . . 0.0 108.569 171.598 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.609 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -59.87 146.62 44.71 Favored Glycine 0 N--CA 1.449 -0.494 0 C-N-CA 121.139 -0.553 . . . . 0.0 112.373 -177.314 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.478 ' HB3' ' HD3' ' A' ' 86' ' ' PRO . 30.4 tt0 -62.98 -43.32 81.87 Favored Pre-proline 0 C--N 1.317 -0.822 0 O-C-N 122.913 -0.169 . . . . 0.0 111.366 -179.089 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.533 ' CB ' ' HA ' ' A' ' 8' ' ' ILE . 50.3 Cg_exo -57.58 -19.83 38.88 Favored 'Trans proline' 0 C--N 1.356 0.933 0 C-N-CA 122.006 1.804 . . . . 0.0 112.465 171.386 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.609 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.3 mm? -78.58 -30.36 46.69 Favored 'General case' 0 C--N 1.325 -0.464 0 N-CA-C 109.6 -0.518 . . . . 0.0 109.6 177.667 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . 0.566 ' O ' ' HG2' ' A' ' 92' ' ' ARG . 11.0 mp -64.8 -45.96 84.07 Favored 'General case' 0 C--N 1.332 -0.17 0 CA-C-N 115.959 -0.564 . . . . 0.0 110.495 176.506 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 34.0 m -68.39 -33.21 59.05 Favored 'Isoleucine or valine' 0 C--N 1.331 -0.236 0 CA-C-N 116.45 -0.341 . . . . 0.0 110.263 179.652 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.622 ' HB2' HD11 ' A' ' 8' ' ' ILE . 70.3 t80 -62.77 -35.71 80.71 Favored 'General case' 0 C--N 1.331 -0.22 0 CA-C-N 116.054 -0.521 . . . . 0.0 110.18 175.64 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.429 HD22 ' HA ' ' A' ' 91' ' ' LEU . 0.6 OUTLIER -70.52 -35.68 73.33 Favored 'General case' 0 C--N 1.329 -0.286 0 CA-C-N 115.721 -0.672 . . . . 0.0 109.654 178.034 . . . . . . . . 3 3 . 1 . 017 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.566 ' HG2' ' O ' ' A' ' 88' ' ' LEU . 10.8 mmp_? -61.42 -57.54 11.8 Favored 'General case' 0 C--N 1.332 -0.16 0 N-CA-C 109.216 -0.661 . . . . 0.0 109.216 175.465 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 52.5 ttp180 -153.92 137.46 15.95 Favored 'General case' 0 C--N 1.327 -0.375 0 CA-C-N 115.52 -0.764 . . . . 0.0 109.225 177.244 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 0.5 OUTLIER -81.66 134.28 35.46 Favored 'General case' 0 C--N 1.322 -0.608 0 CA-C-O 121.139 0.495 . . . . 0.0 110.351 -179.538 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.661 ' HB2' HG13 ' A' ' 3' ' ' ILE . 29.2 t70 -86.27 -48.11 8.81 Favored 'General case' 0 C--N 1.322 -0.625 0 CA-C-N 115.995 -0.548 . . . . 0.0 109.786 178.552 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.55 ' O ' HG13 ' A' ' 99' ' ' ILE . 94.1 mt -123.67 106.48 32.15 Favored Pre-proline 0 C--N 1.321 -0.647 0 CA-C-N 115.388 -0.824 . . . . 0.0 109.613 176.718 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 33.4 Cg_exo -63.63 -4.05 6.42 Favored 'Trans proline' 0 N--CA 1.474 0.332 0 C-N-CA 123.159 2.572 . . . . 0.0 112.619 176.094 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 10.7 tp10 -129.12 46.72 2.58 Favored 'General case' 0 N--CA 1.444 -0.739 0 CA-C-N 115.973 -0.558 . . . . 0.0 110.522 -175.946 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.55 HG13 ' O ' ' A' ' 96' ' ' LEU . 64.5 mt -71.65 109.43 3.87 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.302 0 CA-C-O 121.267 0.556 . . . . 0.0 109.528 175.396 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.513 HG22 ' HG2' ' A' ' 63' ' ' ARG . 2.7 p -125.72 152.54 45.17 Favored 'General case' 0 C--N 1.319 -0.755 0 CA-C-N 115.462 -0.79 . . . . 0.0 111.224 -175.869 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -127.81 125.24 39.43 Favored 'General case' 0 C--N 1.319 -0.749 0 N-CA-C 109.109 -0.701 . . . . 0.0 109.109 174.66 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 13.9 pt20 -143.66 108.9 5.02 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-O 121.065 0.46 . . . . 0.0 110.993 -178.301 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 90.4 mtt180 -77.07 104.51 7.61 Favored 'General case' 0 C--N 1.322 -0.588 0 CA-C-O 121.214 0.531 . . . . 0.0 110.419 177.805 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 8.9 pt20 -101.1 159.37 15.29 Favored 'General case' 0 C--N 1.322 -0.601 0 CA-C-N 115.552 -0.749 . . . . 0.0 110.051 179.711 . . . . . . . . 1 1 . 1 . 017 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 0.8 OUTLIER -100.83 35.39 2.2 Favored 'General case' 0 C--N 1.325 -0.466 0 CA-C-O 121.403 0.62 . . . . 0.0 111.317 -170.899 . . . . . . . . 2 2 . 1 . 017 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.483 ' HD2' ' O ' ' A' ' 106' ' ' ARG . 8.0 ppt_? . . . . . 0 C--N 1.312 -1.042 0 CA-C-N 115.599 -0.728 . . . . 0.0 109.603 173.249 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 26.7 ttt . . . . . 0 N--CA 1.484 1.244 0 CA-C-O 120.744 0.307 . . . . 0.0 111.161 . . . . . . . . . 0 0 . 1 . 018 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 5.2 p -103.6 159.62 15.45 Favored 'General case' 0 C--N 1.323 -0.586 0 CA-C-N 116.394 -0.366 . . . . 0.0 111.167 -178.168 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.573 HG13 ' H ' ' A' ' 95' ' ' ASP . 34.2 mm -69.12 141.1 17.79 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.491 0 CA-C-N 116.048 -0.524 . . . . 0.0 110.722 178.921 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 29.4 p -91.73 -173.81 3.65 Favored 'General case' 0 C--N 1.322 -0.62 0 CA-C-N 115.922 -0.581 . . . . 0.0 112.026 -173.509 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.438 ' O ' HG22 ' A' ' 8' ' ' ILE . 10.6 m -65.41 -172.11 0.1 Allowed 'General case' 0 C--N 1.327 -0.389 0 CA-C-N 115.342 -0.844 . . . . 0.0 112.434 -176.303 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 9.8 m -52.75 -22.63 5.48 Favored 'General case' 0 N--CA 1.466 0.348 0 C-N-CA 123.421 0.688 . . . . 0.0 112.296 -176.221 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.1 m-20 -51.67 -28.31 14.27 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 116.171 -0.468 . . . . 0.0 111.933 178.62 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.606 HD11 ' HB2' ' A' ' 90' ' ' TYR . 15.4 tt -61.0 -39.2 81.4 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.363 0 CA-C-O 120.943 0.401 . . . . 0.0 110.796 177.794 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 40.7 t -75.17 -33.07 61.43 Favored 'General case' 0 C--N 1.329 -0.292 0 CA-C-N 116.169 -0.469 . . . . 0.0 110.525 178.745 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 86.0 mm-40 -72.97 -38.82 66.55 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-N 115.975 -0.557 . . . . 0.0 111.229 -177.335 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -67.57 -27.9 67.32 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.763 0.316 . . . . 0.0 111.0 178.514 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -68.72 -17.88 64.14 Favored 'General case' 0 C--N 1.33 -0.254 0 CA-C-O 121.121 0.486 . . . . 0.0 110.831 178.026 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 15.2 t70 -90.02 -24.06 21.32 Favored 'General case' 0 C--N 1.324 -0.523 0 CA-C-N 115.89 -0.596 . . . . 0.0 110.124 177.134 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -86.05 0.93 52.18 Favored 'General case' 0 C--O 1.236 0.379 0 CA-C-N 115.582 -0.735 . . . . 0.0 111.526 -176.144 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.533 ' HB2' ' HB3' ' A' ' 50' ' ' SER . 50.7 mt -65.15 125.58 25.44 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 109.734 -0.469 . . . . 0.0 109.734 178.119 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 9.7 ptpp? -122.0 146.32 47.27 Favored 'General case' 0 C--N 1.319 -0.719 0 CA-C-O 120.911 0.386 . . . . 0.0 110.372 -177.519 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 121.64 148.86 7.95 Favored Glycine 0 N--CA 1.446 -0.64 0 N-CA-C 111.032 -0.827 . . . . 0.0 111.032 -175.377 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 64.3 m-85 -112.09 129.21 56.3 Favored 'General case' 0 C--N 1.32 -0.699 0 CA-C-N 116.815 0.308 . . . . 0.0 110.315 -177.616 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . . . . . . . . . 0.0 OUTLIER -104.36 137.68 32.29 Favored 'Isoleucine or valine' 0 C--N 1.321 -0.67 0 CA-C-O 121.053 0.454 . . . . 0.0 110.41 176.29 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -147.5 145.38 13.97 Favored Glycine 0 N--CA 1.443 -0.85 0 CA-C-N 115.553 -0.748 . . . . 0.0 111.369 178.546 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 52.0 t80 -78.26 114.12 16.85 Favored 'General case' 0 C--N 1.323 -0.569 0 N-CA-C 109.751 -0.463 . . . . 0.0 109.751 179.096 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 47.3 t-20 -88.66 118.21 28.17 Favored 'General case' 0 C--N 1.319 -0.73 0 N-CA-C 109.493 -0.558 . . . . 0.0 109.493 -179.817 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.402 ' HG2' ' HB3' ' A' ' 40' ' ' ASP . 3.1 ptm180 -64.76 -24.9 67.7 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.007 -0.542 . . . . 0.0 111.739 -177.459 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 48.2 mtmt -76.41 -52.14 10.45 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-O 120.779 0.323 . . . . 0.0 111.102 -176.617 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 17.6 p -80.65 -26.67 37.53 Favored 'General case' 0 C--N 1.324 -0.537 0 CA-C-O 121.168 0.509 . . . . 0.0 110.878 179.526 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 79.73 25.98 57.27 Favored Glycine 0 N--CA 1.445 -0.709 0 CA-C-N 115.814 -0.63 . . . . 0.0 112.102 178.147 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 49.6 mtp180 -133.89 169.23 17.4 Favored 'General case' 0 C--N 1.327 -0.394 0 CA-C-O 121.043 0.449 . . . . 0.0 111.309 -178.207 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 4.5 t80 -96.08 107.38 19.68 Favored 'General case' 0 C--N 1.326 -0.425 0 N-CA-C 108.778 -0.823 . . . . 0.0 108.778 177.309 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.5 pp -116.65 158.38 17.16 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 CA-C-O 120.991 0.424 . . . . 0.0 111.777 -172.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . . . . . . . . . 14.5 p -104.4 148.71 8.72 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-N 115.636 -0.711 . . . . 0.0 110.432 -178.239 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 0.3 OUTLIER -155.51 147.22 23.13 Favored 'General case' 0 C--N 1.324 -0.526 0 N-CA-C 109.151 -0.685 . . . . 0.0 109.151 177.57 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . . . . . . . . . 95.0 m-85 -93.82 -5.13 48.83 Favored 'General case' 0 C--N 1.323 -0.547 0 CA-C-O 121.023 0.439 . . . . 0.0 110.876 -178.775 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . 0.413 ' HB2' ' HB2' ' A' ' 36' ' ' SER . 16.4 m -119.84 110.48 16.81 Favored 'General case' 0 C--N 1.321 -0.658 0 CA-C-N 116.231 -0.44 . . . . 0.0 111.44 -174.951 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 8.8 mt-10 -62.74 -30.83 71.72 Favored 'General case' 0 C--N 1.327 -0.393 0 CA-C-N 115.761 -0.654 . . . . 0.0 109.706 174.634 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 27.6 t70 -70.2 -6.7 36.38 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-N 114.972 -1.013 . . . . 0.0 111.321 179.943 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . 0.413 ' HB2' ' HB2' ' A' ' 33' ' ' SER . 8.7 t -91.74 -1.71 57.28 Favored 'General case' 0 C--N 1.326 -0.452 0 CA-C-O 121.184 0.516 . . . . 0.0 109.955 -176.953 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . . . . . . . . . 95.9 m-85 -106.66 121.14 43.75 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 115.968 -0.56 . . . . 0.0 110.412 179.478 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -84.72 -121.88 1.01 Allowed Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.952 -0.642 . . . . 0.0 111.955 177.708 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 27.2 ptt? -104.8 -7.22 19.6 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 120.901 0.381 . . . . 0.0 110.378 179.464 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.402 ' HB3' ' HG2' ' A' ' 23' ' ' ARG . 42.8 m-20 -65.67 -47.98 73.68 Favored 'General case' 0 CA--C 1.517 -0.299 0 CA-C-N 115.965 -0.561 . . . . 0.0 110.496 179.066 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 47.6 t -99.41 119.75 47.85 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.674 0 CA-C-N 115.652 -0.704 . . . . 0.0 109.239 176.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -64.22 145.54 55.81 Favored 'General case' 0 C--N 1.324 -0.525 0 CA-C-N 116.206 -0.452 . . . . 0.0 111.029 -177.296 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 4.1 p-10 -63.41 -29.49 70.78 Favored 'General case' 0 C--N 1.324 -0.501 0 CA-C-N 116.509 -0.314 . . . . 0.0 110.558 -178.801 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 4.3 p-10 -79.67 -18.62 50.96 Favored 'General case' 0 C--N 1.329 -0.326 0 CA-C-N 116.301 -0.409 . . . . 0.0 110.622 179.95 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 98.5 p -89.64 -9.64 48.89 Favored 'General case' 0 N--CA 1.453 -0.302 0 CA-C-O 120.987 0.422 . . . . 0.0 110.152 179.451 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.2 mt -79.81 102.15 5.56 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.262 0 N-CA-C 109.295 -0.631 . . . . 0.0 109.295 174.48 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 85.8 m -124.46 129.65 24.59 Favored Pre-proline 0 C--N 1.319 -0.729 0 CA-C-N 116.134 -0.484 . . . . 0.0 110.565 -177.367 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 40.4 Cg_exo -55.69 139.69 83.49 Favored 'Trans proline' 0 N--CA 1.463 -0.279 0 C-N-CA 122.354 2.036 . . . . 0.0 111.151 173.744 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.518 HG23 ' HB3' ' A' ' 15' ' ' LEU . 7.5 t -59.04 -26.7 64.81 Favored 'General case' 0 C--N 1.327 -0.373 0 CA-C-O 120.655 0.264 . . . . 0.0 111.375 -177.343 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . 0.533 ' HB3' ' HB2' ' A' ' 15' ' ' LEU . 1.2 p -71.22 -42.89 68.32 Favored 'General case' 0 C--N 1.327 -0.384 0 CA-C-O 121.061 0.457 . . . . 0.0 110.634 175.611 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -73.27 -23.48 60.32 Favored 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.213 0.53 . . . . 0.0 110.037 -179.707 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 86.7 t80 -68.44 -45.09 73.46 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.733 -0.667 . . . . 0.0 111.3 -179.841 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . . . . . . . . . 33.5 m -72.54 -21.83 20.12 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.3 0 CA-C-N 116.561 -0.29 . . . . 0.0 111.501 -175.117 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.487 ' HD1' ' O ' ' A' ' 50' ' ' SER . 98.9 m95 -91.79 120.75 32.79 Favored 'General case' 0 C--N 1.324 -0.5 0 CA-C-O 121.136 0.493 . . . . 0.0 110.518 178.157 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 19.8 m -119.65 113.56 20.86 Favored 'General case' 0 C--N 1.318 -0.772 0 CA-C-N 116.026 -0.534 . . . . 0.0 109.692 177.307 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.588 ' HA ' ' HA ' ' A' ' 62' ' ' MET . 10.7 t -72.59 127.73 33.44 Favored 'General case' 0 C--N 1.319 -0.75 0 CA-C-N 116.107 -0.497 . . . . 0.0 110.41 -177.852 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 29.2 m -104.34 0.42 10.23 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.621 0 CA-C-O 121.596 0.713 . . . . 0.0 109.749 178.195 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.457 ' HA ' ' HD2' ' A' ' 58' ' ' ARG . 6.1 tpt180 -149.03 -154.14 0.54 Allowed 'General case' 0 C--N 1.324 -0.537 0 CA-C-N 115.096 -0.956 . . . . 0.0 108.432 -179.468 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . 0.427 ' H ' ' HG3' ' A' ' 58' ' ' ARG . 36.0 t70 -89.56 -36.85 15.1 Favored 'General case' 0 C--N 1.325 -0.495 0 C-N-CA 120.821 -0.352 . . . . 0.0 110.75 178.088 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . 0.543 ' O ' ' HA ' ' A' ' 102' ' ' GLN . 7.4 m-20 -126.9 11.7 7.18 Favored 'General case' 0 N--CA 1.465 0.288 0 CA-C-N 116.513 -0.312 . . . . 0.0 111.612 177.414 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.458 HG22 ' HB3' ' A' ' 102' ' ' GLN . 19.5 t -112.01 111.57 36.75 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-O 120.702 0.287 . . . . 0.0 110.304 -177.623 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.588 ' HA ' ' HA ' ' A' ' 56' ' ' SER . 58.5 mtm -115.19 139.2 50.13 Favored 'General case' 0 C--N 1.324 -0.511 0 CA-C-N 116.296 -0.411 . . . . 0.0 110.833 -177.131 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.576 ' NH2' ' HA2' ' A' ' 65' ' ' GLY . 0.7 OUTLIER -107.45 142.05 37.91 Favored 'General case' 0 C--N 1.326 -0.443 0 CA-C-N 116.456 -0.338 . . . . 0.0 110.322 176.339 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . 0.422 HD22 ' HA ' ' A' ' 64' ' ' LEU . 1.5 tm? -76.44 117.85 18.52 Favored 'General case' 0 C--N 1.321 -0.671 0 N-CA-C 108.725 -0.843 . . . . 0.0 108.725 173.996 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . 0.576 ' HA2' ' NH2' ' A' ' 63' ' ' ARG . . . -86.28 107.82 3.22 Favored Glycine 0 N--CA 1.443 -0.9 0 C-N-CA 120.73 -0.748 . . . . 0.0 112.123 -179.781 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.463 ' HB3' ' CE2' ' A' ' 90' ' ' TYR . 24.2 ptt180 -70.12 -27.18 64.36 Favored 'General case' 0 C--N 1.319 -0.745 0 O-C-N 122.496 -0.414 . . . . 0.0 111.241 176.912 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 5.9 pm0 -63.89 -24.07 67.6 Favored 'General case' 0 C--N 1.328 -0.348 0 CA-C-O 121.389 0.614 . . . . 0.0 109.965 177.966 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . . . . . . . . . 8.9 mm-40 -70.45 -40.72 73.57 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 115.1 -0.954 . . . . 0.0 109.685 -178.698 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . . . . . . . . . 93.4 mt -64.2 -29.05 70.18 Favored 'General case' 0 C--N 1.329 -0.293 0 CA-C-N 115.195 -0.911 . . . . 0.0 110.528 -179.848 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.416 ' O ' ' HB3' ' A' ' 73' ' ' LEU . 23.4 mt-30 -73.66 -26.1 60.59 Favored 'General case' 0 C--N 1.328 -0.369 0 CA-C-O 120.889 0.376 . . . . 0.0 110.951 178.679 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 66.6 mt -73.82 -36.55 46.27 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.426 0 CA-C-O 121.534 0.683 . . . . 0.0 109.223 174.472 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.788 ' HB3' HD21 ' A' ' 81' ' ' LEU . 79.6 mt -75.42 -25.75 57.79 Favored 'General case' 0 C--N 1.325 -0.484 0 CA-C-N 115.055 -0.975 . . . . 0.0 110.686 177.662 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.674 HD13 HD21 ' A' ' 91' ' ' LEU . 42.7 tp -54.44 -26.03 28.49 Favored 'General case' 0 C--N 1.327 -0.371 0 CA-C-N 115.055 -0.975 . . . . 0.0 112.187 -178.539 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 9.7 mm-40 -66.03 -18.95 65.68 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 120.856 0.36 . . . . 0.0 111.127 178.826 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 2.6 mp0 -99.82 111.52 23.83 Favored 'General case' 0 C--N 1.326 -0.426 0 CA-C-N 116.172 -0.467 . . . . 0.0 109.938 176.971 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.5 m120 -84.46 2.06 42.6 Favored 'General case' 0 C--N 1.324 -0.539 0 CA-C-N 116.213 -0.449 . . . . 0.0 111.306 -176.582 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.519 ' HB ' ' HB3' ' A' ' 80' ' ' ARG . 1.4 pp -90.27 74.54 1.05 Allowed 'Isoleucine or valine' 0 C--N 1.323 -0.567 0 CA-C-O 121.569 0.699 . . . . 0.0 110.603 176.325 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . . . . . . . . . 18.6 m120 -63.72 -30.76 71.82 Favored 'General case' 0 C--N 1.327 -0.409 0 CA-C-N 115.462 -0.79 . . . . 0.0 112.254 -172.334 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 34.6 tt0 -80.71 -35.99 32.77 Favored 'General case' 0 C--N 1.327 -0.387 0 CA-C-O 120.884 0.373 . . . . 0.0 110.131 -179.031 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.519 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 73.2 ttt180 -69.43 -41.76 75.91 Favored 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 121.662 0.744 . . . . 0.0 109.592 176.501 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.788 HD21 ' HB3' ' A' ' 72' ' ' LEU . 21.2 tp -72.53 -19.79 61.46 Favored 'General case' 0 C--N 1.32 -0.69 0 CA-C-N 114.842 -1.072 . . . . 0.0 110.311 177.97 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 28.2 m-80 68.53 27.13 6.28 Favored 'General case' 0 N--CA 1.468 0.438 0 CA-C-N 115.624 -0.717 . . . . 0.0 112.773 174.423 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.786 HD13 ' HG ' ' A' ' 81' ' ' LEU . 1.4 mp -77.47 125.46 37.21 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.485 0 CA-C-O 120.979 0.418 . . . . 0.0 109.934 175.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.471 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -66.84 164.8 42.52 Favored Glycine 0 N--CA 1.452 -0.299 0 CA-C-N 115.661 -0.7 . . . . 0.0 113.77 -174.171 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.486 ' N ' ' HD2' ' A' ' 86' ' ' PRO . 15.1 tp10 -62.61 -51.84 69.46 Favored Pre-proline 0 CA--C 1.537 0.443 0 CA-C-N 115.586 -0.307 . . . . 0.0 111.549 -179.23 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.538 ' HB2' HG13 ' A' ' 8' ' ' ILE . 16.7 Cg_endo -58.98 -24.36 72.81 Favored 'Trans proline' 0 C--N 1.355 0.913 0 C-N-CA 121.937 1.758 . . . . 0.0 112.052 176.85 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.471 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.8 mm? -69.79 -36.48 75.73 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 116.05 -0.523 . . . . 0.0 109.764 177.191 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 92.5 mt -67.78 -38.42 83.35 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-N 115.558 -0.746 . . . . 0.0 109.95 176.196 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . . . . . . . . . 40.5 t -63.72 -41.69 93.44 Favored 'Isoleucine or valine' 0 C--N 1.329 -0.298 0 CA-C-N 115.869 -0.605 . . . . 0.0 109.895 176.312 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.606 ' HB2' HD11 ' A' ' 8' ' ' ILE . 33.4 t80 -62.92 -35.24 79.42 Favored 'General case' 0 C--N 1.328 -0.342 0 CA-C-N 115.404 -0.817 . . . . 0.0 110.225 178.097 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.674 HD21 HD13 ' A' ' 73' ' ' LEU . 52.3 tp -73.06 -37.21 66.92 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-N 115.794 -0.639 . . . . 0.0 110.782 178.513 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . . . . . . . . . 1.6 mpt_? -62.84 -63.73 1.12 Allowed 'General case' 0 C--N 1.331 -0.236 0 CA-C-O 120.623 0.249 . . . . 0.0 111.384 176.741 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 12.2 ttm180 -148.01 96.88 2.71 Favored 'General case' 0 C--N 1.323 -0.581 0 CA-C-O 120.845 0.355 . . . . 0.0 110.079 -177.88 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . 0.449 ' HA ' HD11 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -83.3 133.01 34.99 Favored 'General case' 0 C--N 1.319 -0.723 0 CA-C-O 121.236 0.541 . . . . 0.0 110.738 -178.905 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . 0.573 ' H ' HG13 ' A' ' 3' ' ' ILE . 16.4 t70 -86.33 -42.01 14.05 Favored 'General case' 0 C--N 1.318 -0.766 0 CA-C-N 115.368 -0.833 . . . . 0.0 109.518 178.09 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . 0.498 HD22 HG12 ' A' ' 99' ' ' ILE . 3.3 mp -92.07 123.0 64.06 Favored Pre-proline 0 C--N 1.323 -0.576 0 CA-C-N 115.161 -0.927 . . . . 0.0 109.498 177.636 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 21.3 Cg_exo -65.64 -37.46 28.72 Favored 'Trans proline' 0 N--CA 1.463 -0.276 0 C-N-CA 122.302 2.001 . . . . 0.0 111.188 175.204 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 45.3 mt-10 -138.17 102.03 4.56 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-N 115.687 -0.688 . . . . 0.0 110.653 179.416 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . 0.498 HG12 HD22 ' A' ' 96' ' ' LEU . 59.3 mt -74.68 105.26 3.63 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.544 0 N-CA-C 108.361 -0.977 . . . . 0.0 108.361 171.656 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 0.3 OUTLIER -112.61 120.34 41.23 Favored 'General case' 0 C--N 1.317 -0.847 0 CA-C-O 121.081 0.467 . . . . 0.0 110.751 -173.624 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.71 139.44 53.06 Favored 'General case' 0 C--N 1.324 -0.538 0 CA-C-N 115.811 -0.631 . . . . 0.0 110.039 -179.61 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . 0.543 ' HA ' ' O ' ' A' ' 60' ' ' ASP . 14.6 pt20 -137.0 136.61 38.62 Favored 'General case' 0 C--N 1.321 -0.636 0 CA-C-O 121.117 0.484 . . . . 0.0 111.06 -178.327 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 21.3 mmt180 -83.08 89.35 6.91 Favored 'General case' 0 C--N 1.324 -0.535 0 CA-C-N 115.911 -0.586 . . . . 0.0 109.649 179.311 . . . . . . . . 1 1 . 1 . 018 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.414 ' H ' ' HG3' ' A' ' 104' ' ' GLN . 0.0 OUTLIER -102.11 171.95 7.19 Favored 'General case' 0 C--N 1.322 -0.611 0 CA-C-N 115.558 -0.746 . . . . 0.0 111.239 -175.224 . . . . . . . . 3 3 . 1 . 018 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.661 HD23 ' H ' ' A' ' 105' ' ' LEU . 2.4 pt? -122.39 18.9 10.57 Favored 'General case' 0 C--N 1.326 -0.42 0 CA-C-O 121.004 0.431 . . . . 0.0 110.806 -176.894 . . . . . . . . 2 2 . 1 . 018 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.656 ' HA ' ' HE ' ' A' ' 106' ' ' ARG . 1.2 mmp_? . . . . . 0 C--O 1.247 0.947 0 CA-C-O 118.689 -0.672 . . . . 0.0 110.1 -177.712 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . 0.47 ' HB3' HG12 ' A' ' 89' ' ' VAL . 65.7 mtt . . . . . 0 N--CA 1.477 0.88 0 CA-C-O 120.912 0.387 . . . . 0.0 110.283 . . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 30.6 m -73.72 140.22 45.83 Favored 'General case' 0 C--N 1.324 -0.504 0 CA-C-N 116.036 -0.529 . . . . 0.0 109.837 177.553 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . . . . . . . . . 28.7 mm -69.18 137.1 24.95 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.547 0 N-CA-C 109.661 -0.496 . . . . 0.0 109.661 -179.311 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 40.5 p -91.09 -178.12 5.09 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 121.413 0.625 . . . . 0.0 112.372 -167.639 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . . . . . . . . . 22.9 t -79.47 -169.87 2.09 Favored 'General case' 0 C--N 1.323 -0.559 0 CA-C-N 114.758 -1.11 . . . . 0.0 110.314 -179.845 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 8.5 m -50.49 -22.75 2.07 Favored 'General case' 0 CA--C 1.537 0.477 0 C-N-CA 123.798 0.839 . . . . 0.0 112.046 -178.44 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 5.2 m-20 -52.1 -28.52 17.96 Favored 'General case' 0 N--CA 1.463 0.208 0 C-N-CA 123.089 0.556 . . . . 0.0 111.653 178.603 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.646 HD11 ' HB2' ' A' ' 90' ' ' TYR . 14.9 tt -58.49 -37.07 62.2 Favored 'Isoleucine or valine' 0 CA--C 1.534 0.329 0 CA-C-O 120.844 0.354 . . . . 0.0 111.125 -179.46 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . . . . . . . . . 53.1 t -75.47 -34.73 60.92 Favored 'General case' 0 C--N 1.327 -0.383 0 CA-C-O 121.04 0.448 . . . . 0.0 110.78 179.327 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 76.6 mm-40 -74.41 -40.01 62.28 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.971 -0.559 . . . . 0.0 110.99 -176.684 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -69.04 -15.78 63.55 Favored 'General case' 0 C--N 1.328 -0.363 0 CA-C-N 115.859 -0.609 . . . . 0.0 111.791 -177.288 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . . . . . . . . . . . -67.69 -23.98 65.35 Favored 'General case' 0 C--N 1.329 -0.314 0 CA-C-O 121.214 0.531 . . . . 0.0 110.392 176.974 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 27.7 t70 -90.68 -1.43 57.87 Favored 'General case' 0 C--N 1.326 -0.439 0 CA-C-O 121.612 0.72 . . . . 0.0 110.271 178.936 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -92.12 5.03 51.83 Favored 'General case' 0 C--N 1.328 -0.332 0 CA-C-N 115.85 -0.614 . . . . 0.0 111.272 -178.379 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.442 ' HB3' HG23 ' A' ' 49' ' ' THR . 10.5 mp -83.07 139.63 33.12 Favored 'General case' 0 C--N 1.325 -0.486 0 N-CA-C 109.6 -0.519 . . . . 0.0 109.6 177.145 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . . . . . . . . . 0.0 OUTLIER -122.3 153.6 38.71 Favored 'General case' 0 C--N 1.323 -0.561 0 CA-C-O 120.953 0.406 . . . . 0.0 111.148 -176.653 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . 0.58 ' HA2' ' HB3' ' A' ' 32' ' ' PHE . . . 107.42 164.71 21.86 Favored Glycine 0 N--CA 1.447 -0.602 0 C-N-CA 120.927 -0.654 . . . . 0.0 112.389 -179.057 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . . . . . . . . . 72.2 m-85 -112.99 146.41 39.11 Favored 'General case' 0 C--N 1.322 -0.627 0 N-CA-C 110.044 -0.354 . . . . 0.0 110.044 179.348 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.529 HG22 HG12 ' A' ' 30' ' ' VAL . 12.9 t -105.39 128.82 59.08 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.741 0 N-CA-C 109.232 -0.655 . . . . 0.0 109.232 175.554 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . . . . . . . . . . . -145.64 150.52 22.74 Favored Glycine 0 N--CA 1.445 -0.756 0 C-N-CA 120.508 -0.853 . . . . 0.0 112.414 -178.129 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . . . . . . . . . 81.8 t80 -93.06 114.91 27.57 Favored 'General case' 0 C--N 1.319 -0.718 0 N-CA-C 109.639 -0.504 . . . . 0.0 109.639 177.891 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 33.5 p30 -87.29 137.85 31.99 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-O 121.119 0.485 . . . . 0.0 110.386 -178.839 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . 0.428 ' HE ' ' CG ' ' A' ' 40' ' ' ASP . 36.8 ptt180 -95.09 3.39 54.85 Favored 'General case' 0 C--N 1.325 -0.487 0 CA-C-O 121.273 0.559 . . . . 0.0 109.569 177.212 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 70.4 mmtt -67.09 -44.11 80.83 Favored 'General case' 0 C--N 1.329 -0.315 0 CA-C-N 115.483 -0.78 . . . . 0.0 110.064 176.085 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . 0.534 HG23 ' HG2' ' A' ' 27' ' ' ARG . 9.5 t -131.41 -9.82 3.67 Favored 'General case' 0 C--N 1.326 -0.453 0 CA-C-N 116.06 -0.518 . . . . 0.0 111.189 179.615 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 81.58 44.65 7.76 Favored Glycine 0 N--CA 1.451 -0.357 0 C-N-CA 120.651 -0.785 . . . . 0.0 112.601 177.192 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . 0.534 ' HG2' HG23 ' A' ' 25' ' ' THR . 31.4 mmt180 -127.4 150.91 49.41 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 120.772 0.32 . . . . 0.0 110.429 -179.188 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . . . . . . . . . 1.5 t80 -89.88 105.24 17.67 Favored 'General case' 0 C--N 1.324 -0.525 0 N-CA-C 108.601 -0.889 . . . . 0.0 108.601 177.495 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . 0.736 HD11 ' HZ ' ' A' ' 37' ' ' PHE . 2.7 pp -117.55 166.35 11.97 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.604 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.617 -169.788 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.529 HG12 HG22 ' A' ' 19' ' ' VAL . 33.7 m -116.29 141.31 34.56 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.572 0 CA-C-N 115.857 -0.61 . . . . 0.0 110.156 176.71 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . . . . . . . . . 2.8 tpp180 -168.0 132.88 1.79 Allowed 'General case' 0 C--N 1.323 -0.56 0 N-CA-C 109.471 -0.566 . . . . 0.0 109.471 -179.615 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.58 ' HB3' ' HA2' ' A' ' 17' ' ' GLY . 22.2 p90 -94.52 39.89 1.09 Allowed 'General case' 0 C--N 1.325 -0.498 0 CA-C-O 121.308 0.575 . . . . 0.0 110.992 -177.238 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 21.7 t -143.05 109.15 5.24 Favored 'General case' 0 C--N 1.324 -0.536 0 CA-C-N 115.645 -0.707 . . . . 0.0 109.61 178.869 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 2.1 mp0 -67.75 -25.2 65.51 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.036 0.446 . . . . 0.0 110.964 -178.408 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 37.7 t70 -70.89 -10.07 58.92 Favored 'General case' 0 C--N 1.329 -0.313 0 CA-C-N 115.97 -0.559 . . . . 0.0 111.608 -177.115 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 54.7 p -62.59 -27.12 68.98 Favored 'General case' 0 C--N 1.329 -0.289 0 CA-C-N 116.527 -0.306 . . . . 0.0 111.411 -178.131 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.736 ' HZ ' HD11 ' A' ' 29' ' ' ILE . 65.2 m-85 -108.58 -64.53 1.22 Allowed 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 120.837 0.351 . . . . 0.0 111.147 -179.957 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . 83.45 -110.81 3.33 Favored Glycine 0 N--CA 1.45 -0.375 0 C-N-CA 120.767 -0.73 . . . . 0.0 111.645 -178.882 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 0.0 OUTLIER -90.94 -4.23 56.66 Favored 'General case' 0 C--N 1.326 -0.418 0 CA-C-O 121.316 0.579 . . . . 0.0 109.91 178.308 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . 0.428 ' CG ' ' HE ' ' A' ' 23' ' ' ARG . 24.6 t70 -72.12 -43.86 64.06 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-N 115.456 -0.793 . . . . 0.0 110.573 -177.908 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . . . . . . . . . 90.6 t -135.27 128.05 48.11 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.462 0 CA-C-N 116.032 -0.531 . . . . 0.0 109.952 178.996 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -63.45 146.1 54.28 Favored 'General case' 0 C--N 1.329 -0.324 0 CA-C-N 116.313 -0.403 . . . . 0.0 110.861 179.284 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 5.4 p-10 -74.68 -8.34 56.07 Favored 'General case' 0 C--N 1.327 -0.382 0 CA-C-N 116.355 -0.384 . . . . 0.0 111.695 -173.484 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 0.6 OUTLIER -77.95 -20.36 52.9 Favored 'General case' 0 C--N 1.33 -0.257 0 CA-C-O 121.221 0.534 . . . . 0.0 109.756 175.225 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . . . . . . . . . 30.3 t -83.27 -18.06 40.43 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 115.677 -0.692 . . . . 0.0 109.388 176.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . . . . . . . . . 64.3 mt -91.13 116.77 33.03 Favored 'Isoleucine or valine' 0 C--N 1.325 -0.46 0 CA-C-N 115.292 -0.867 . . . . 0.0 109.803 178.727 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 29.0 m -122.73 124.8 26.57 Favored Pre-proline 0 C--N 1.32 -0.679 0 CA-C-N 116.408 -0.36 . . . . 0.0 111.049 -175.818 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . . . . . . . . . 52.0 Cg_exo -51.53 131.93 38.7 Favored 'Trans proline' 0 C--N 1.346 0.419 0 C-N-CA 122.715 2.277 . . . . 0.0 111.193 175.673 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.442 HG23 ' HB3' ' A' ' 15' ' ' LEU . 13.5 t -63.3 -25.37 68.28 Favored 'General case' 0 C--N 1.325 -0.475 0 N-CA-C 111.952 0.353 . . . . 0.0 111.952 -173.345 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 7.3 p -73.1 -24.26 60.62 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 120.956 0.408 . . . . 0.0 110.941 178.79 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 35.3 tt0 -96.27 -25.64 15.7 Favored 'General case' 0 C--N 1.328 -0.328 0 CA-C-O 121.277 0.56 . . . . 0.0 109.837 176.468 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . . . . . . . . . 73.1 t80 -60.36 -36.7 78.63 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 115.465 -0.789 . . . . 0.0 111.395 -177.883 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.528 ' HA ' ' HG3' ' A' ' 68' ' ' GLN . 27.5 m -70.0 -19.02 22.26 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.434 0 CA-C-N 116.496 -0.32 . . . . 0.0 111.497 -178.369 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . . . . . . . . . 93.0 m95 -98.24 116.49 30.57 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-O 121.03 0.443 . . . . 0.0 110.135 178.92 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 35.8 t -103.27 112.63 25.6 Favored 'General case' 0 C--N 1.316 -0.852 0 CA-C-N 116.185 -0.461 . . . . 0.0 110.203 -179.062 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . . . . . . . . . 34.9 t -69.82 116.67 10.48 Favored 'General case' 0 C--N 1.326 -0.441 0 N-CA-C 109.631 -0.507 . . . . 0.0 109.631 178.386 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . . . . . . . . . 16.4 m -119.51 9.61 6.62 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.427 0 CA-C-N 116.249 -0.432 . . . . 0.0 111.059 -177.176 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.474 ' HB3' HG12 ' A' ' 61' ' ' VAL . 3.8 ttt180 -163.88 -162.34 0.7 Allowed 'General case' 0 C--N 1.324 -0.515 0 CA-C-N 116.077 -0.511 . . . . 0.0 109.941 179.753 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 46.6 t0 -59.46 -63.2 1.39 Allowed 'General case' 0 C--N 1.325 -0.489 0 CA-C-N 115.953 -0.567 . . . . 0.0 111.843 -175.376 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 2.8 m-20 -127.78 14.96 6.97 Favored 'General case' 0 N--CA 1.465 0.295 0 N-CA-C 112.93 0.715 . . . . 0.0 112.93 -177.034 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.474 HG12 ' HB3' ' A' ' 58' ' ' ARG . 14.5 p -114.47 130.39 68.88 Favored 'Isoleucine or valine' 0 C--N 1.323 -0.549 0 CA-C-O 121.46 0.648 . . . . 0.0 111.525 -178.389 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . . . . . . . . . 67.8 mtm -116.48 134.9 54.32 Favored 'General case' 0 C--N 1.324 -0.521 0 CA-C-N 115.439 -0.8 . . . . 0.0 109.673 177.65 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.487 HH21 ' HG2' ' A' ' 98' ' ' GLU . 7.4 ptm180 -95.98 134.8 38.56 Favored 'General case' 0 C--N 1.322 -0.623 0 CA-C-N 116.354 -0.385 . . . . 0.0 110.224 -179.612 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 1.6 tm? -73.01 111.86 8.51 Favored 'General case' 0 C--N 1.323 -0.556 0 N-CA-C 108.736 -0.838 . . . . 0.0 108.736 175.193 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -96.91 115.15 5.16 Favored Glycine 0 N--CA 1.442 -0.927 0 C-N-CA 120.54 -0.838 . . . . 0.0 111.65 -179.593 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . 0.498 ' HA ' HD13 ' A' ' 69' ' ' LEU . 9.0 ptm180 -69.27 -19.38 63.92 Favored 'General case' 0 C--N 1.317 -0.804 0 O-C-N 122.324 -0.515 . . . . 0.0 111.409 177.842 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 11.0 pm0 -61.04 -24.82 66.48 Favored 'General case' 0 C--N 1.328 -0.339 0 CA-C-O 121.125 0.488 . . . . 0.0 110.699 176.647 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.528 ' HG3' ' HA ' ' A' ' 53' ' ' VAL . 8.6 mm-40 -70.49 -38.93 74.44 Favored 'General case' 0 C--N 1.325 -0.486 0 CA-C-N 115.589 -0.732 . . . . 0.0 109.732 -179.172 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.498 HD13 ' HA ' ' A' ' 66' ' ' ARG . 7.6 mp -67.82 -28.95 68.01 Favored 'General case' 0 C--N 1.328 -0.362 0 CA-C-N 115.25 -0.886 . . . . 0.0 110.414 -179.599 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.674 HE21 ' HA ' ' A' ' 70' ' ' GLN . 0.0 OUTLIER -65.28 -33.16 75.33 Favored 'General case' 0 C--N 1.328 -0.353 0 CA-C-N 116.22 -0.445 . . . . 0.0 110.207 177.179 . . . . . . . . 3 3 . 1 . 019 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 66.6 mt -70.72 -43.23 77.52 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.273 0 CA-C-O 121.07 0.462 . . . . 0.0 110.206 177.354 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . . . . . . . . . 91.0 mt -62.7 -33.41 75.04 Favored 'General case' 0 C--N 1.328 -0.341 0 CA-C-O 121.375 0.607 . . . . 0.0 110.003 175.465 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . . . . . . . . . 41.7 tp -66.58 -26.59 67.18 Favored 'General case' 0 C--N 1.324 -0.534 0 CA-C-N 115.117 -0.947 . . . . 0.0 110.719 178.315 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . 0.4 ' HG2' ' O ' ' A' ' 70' ' ' GLN . 28.7 mm-40 -73.79 -34.56 64.7 Favored 'General case' 0 C--N 1.331 -0.216 0 CA-C-N 116.345 -0.389 . . . . 0.0 110.369 175.961 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . . . . . . . . . 29.6 mm-40 -65.93 -41.18 91.66 Favored 'General case' 0 C--N 1.329 -0.32 0 N-CA-C 108.791 -0.818 . . . . 0.0 108.791 171.905 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 13.0 t-20 78.29 -12.67 1.05 Allowed 'General case' 0 N--CA 1.467 0.408 0 CA-C-N 114.776 -1.102 . . . . 0.0 111.901 168.857 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.462 HD11 HG21 ' A' ' 30' ' ' VAL . 1.7 pp -79.6 74.11 0.69 Allowed 'Isoleucine or valine' 0 C--N 1.322 -0.613 0 CA-C-O 121.858 0.837 . . . . 0.0 111.496 179.89 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.504 ' HA ' HD13 ' A' ' 83' ' ' ILE . 26.5 t-20 -63.08 -38.07 89.71 Favored 'General case' 0 C--N 1.328 -0.364 0 CA-C-N 115.042 -0.981 . . . . 0.0 111.767 -174.512 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 44.3 mt-10 -80.48 -28.97 37.41 Favored 'General case' 0 C--N 1.325 -0.5 0 CA-C-O 120.659 0.266 . . . . 0.0 111.398 -176.965 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.407 ' HB3' ' HB ' ' A' ' 77' ' ' ILE . 19.3 tpt180 -73.59 -51.34 17.19 Favored 'General case' 0 C--N 1.326 -0.419 0 CA-C-O 120.992 0.425 . . . . 0.0 110.607 179.646 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.503 HD13 ' O ' ' A' ' 81' ' ' LEU . 1.7 tm? -73.1 -29.46 62.94 Favored 'General case' 0 C--N 1.325 -0.459 0 CA-C-N 115.594 -0.73 . . . . 0.0 109.335 178.965 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . . . . . . . . . 9.5 t30 66.95 80.13 0.22 Allowed 'General case' 0 C--N 1.331 -0.228 0 CA-C-N 114.83 -1.077 . . . . 0.0 110.663 -178.692 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.504 HD13 ' HA ' ' A' ' 78' ' ' ASN . 3.9 mp -94.56 127.78 46.3 Favored 'Isoleucine or valine' 0 C--N 1.324 -0.512 0 CA-C-N 115.434 -0.803 . . . . 0.0 109.302 176.051 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.558 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -58.72 148.58 38.52 Favored Glycine 0 N--CA 1.449 -0.451 0 C-N-CA 121.116 -0.564 . . . . 0.0 112.858 -178.484 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.758 ' HG3' ' HD3' ' A' ' 86' ' ' PRO . 4.4 pt-20 -65.72 -39.37 31.28 Favored Pre-proline 0 CA--C 1.542 0.67 0 N-CA-C 112.763 0.653 . . . . 0.0 112.763 -179.523 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.758 ' HD3' ' HG3' ' A' ' 85' ' ' GLU . 34.9 Cg_endo -66.34 -15.4 47.98 Favored 'Trans proline' 0 C--N 1.361 1.213 0 C-N-CA 121.352 1.368 . . . . 0.0 111.815 174.337 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.558 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 3.6 mm? -77.16 -34.59 56.4 Favored 'General case' 0 C--N 1.324 -0.527 0 N-CA-C 109.4 -0.593 . . . . 0.0 109.4 176.457 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 99.7 mt -67.5 -38.57 84.52 Favored 'General case' 0 C--N 1.328 -0.34 0 CA-C-N 115.564 -0.744 . . . . 0.0 110.773 179.654 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.47 HG12 ' HB3' ' A' ' 1' ' ' MET . 15.2 m -71.48 -33.35 49.39 Favored 'Isoleucine or valine' 0 C--N 1.33 -0.243 0 N-CA-C 110.11 -0.33 . . . . 0.0 110.11 179.109 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.646 ' HB2' HD11 ' A' ' 8' ' ' ILE . 49.6 t80 -65.76 -36.29 83.13 Favored 'General case' 0 CA--C 1.528 0.105 0 CA-C-O 121.221 0.534 . . . . 0.0 110.404 177.942 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.401 HD12 ' HB3' ' A' ' 69' ' ' LEU . 10.0 tt -64.86 -23.25 67.18 Favored 'General case' 0 C--N 1.331 -0.237 0 CA-C-N 115.642 -0.708 . . . . 0.0 110.166 177.998 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.587 ' HA ' ' NE ' ' A' ' 92' ' ' ARG . 3.0 mmp_? -88.54 -57.04 3.06 Favored 'General case' 0 C--N 1.321 -0.645 0 CA-C-N 115.919 -0.582 . . . . 0.0 110.748 178.239 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . . . . . . . . . 19.6 ttm180 -142.85 152.7 42.44 Favored 'General case' 0 C--N 1.32 -0.693 0 CA-C-N 116.188 -0.46 . . . . 0.0 110.855 -178.287 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 3.9 pm0 -134.75 141.73 46.55 Favored 'General case' 0 C--N 1.322 -0.618 0 CA-C-N 116.14 -0.482 . . . . 0.0 110.062 178.579 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 2.7 p-10 -96.07 -21.3 18.05 Favored 'General case' 0 C--N 1.325 -0.463 0 N-CA-C 109.063 -0.717 . . . . 0.0 109.063 175.758 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 88.9 mt -115.08 115.64 42.92 Favored Pre-proline 0 C--N 1.324 -0.519 0 CA-C-N 115.363 -0.835 . . . . 0.0 109.108 172.475 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 77.1 Cg_exo -50.63 -44.22 41.53 Favored 'Trans proline' 0 C--N 1.344 0.29 0 C-N-CA 123.009 2.472 . . . . 0.0 112.636 -177.907 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . 0.487 ' HG2' HH21 ' A' ' 63' ' ' ARG . 51.6 mt-10 -135.52 118.34 16.18 Favored 'General case' 0 C--N 1.325 -0.497 0 CA-C-N 116.012 -0.54 . . . . 0.0 110.318 178.042 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 63.8 mt -88.91 104.88 15.29 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.598 0 N-CA-C 109.153 -0.684 . . . . 0.0 109.153 174.24 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . . . . . . . . . 3.5 p -101.77 133.64 46.18 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-N 116.237 -0.438 . . . . 0.0 111.539 -177.457 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -120.34 132.58 55.35 Favored 'General case' 0 C--N 1.32 -0.703 0 CA-C-N 115.63 -0.714 . . . . 0.0 109.613 177.518 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 27.6 pt20 -145.28 144.71 30.91 Favored 'General case' 0 C--N 1.322 -0.597 0 CA-C-N 116.358 -0.383 . . . . 0.0 111.087 -175.515 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . 0.432 HH11 ' HD3' ' A' ' 103' ' ' ARG . 50.5 mtt180 -121.26 101.37 7.6 Favored 'General case' 0 C--N 1.323 -0.579 0 CA-C-N 115.931 -0.577 . . . . 0.0 110.376 177.174 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . 0.47 ' OE1' ' HB2' ' A' ' 106' ' ' ARG . 11.8 pt20 -125.82 169.54 12.51 Favored 'General case' 0 C--N 1.319 -0.744 0 CA-C-N 116.266 -0.424 . . . . 0.0 110.251 178.997 . . . . . . . . 2 2 . 1 . 019 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . . . . . . . . . 38.3 tp -100.89 1.37 39.88 Favored 'General case' 0 C--N 1.325 -0.489 0 CA-C-O 121.219 0.533 . . . . 0.0 110.345 -177.671 . . . . . . . . 1 1 . 1 . 019 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.47 ' HB2' ' OE1' ' A' ' 104' ' ' GLN . 37.8 mtm180 . . . . . 0 C--O 1.25 1.113 0 CA-C-O 118.31 -0.852 . . . . 0.0 110.277 -179.273 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 1' ' ' MET . . . . . . . . . . . . . 24.6 mmt . . . . . 0 N--CA 1.48 1.031 0 CA-C-O 120.805 0.336 . . . . 0.0 110.757 . . . . . . . . . 0 0 . 1 . 020 nuclear nobuild full ' A' A ' 2' ' ' SER . . . . . . . . . . . . . 19.7 p -81.69 155.55 25.5 Favored 'General case' 0 C--N 1.326 -0.428 0 CA-C-N 116.422 -0.353 . . . . 0.0 110.112 175.288 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 3' ' ' ILE . . . . . 0.77 HG13 HH11 ' A' ' 93' ' ' ARG . 48.0 mm -77.75 142.51 14.09 Favored 'Isoleucine or valine' 0 C--N 1.322 -0.59 0 CA-C-O 121.116 0.484 . . . . 0.0 110.378 -178.221 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 4' ' ' THR . . . . . . . . . . . . . 41.0 p -91.82 179.8 5.52 Favored 'General case' 0 C--N 1.319 -0.735 0 CA-C-N 115.845 -0.616 . . . . 0.0 110.887 -177.512 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 5' ' ' SER . . . . . 0.429 ' O ' HG22 ' A' ' 8' ' ' ILE . 15.6 m -77.98 -170.45 1.92 Allowed 'General case' 0 C--N 1.32 -0.711 0 CA-C-N 116.092 -0.503 . . . . 0.0 110.429 176.552 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 6' ' ' THR . . . . . . . . . . . . . 40.0 m -50.63 -22.06 1.86 Allowed 'General case' 0 CA--C 1.537 0.474 0 C-N-CA 123.303 0.641 . . . . 0.0 112.593 -176.55 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 7' ' ' ASP . . . . . . . . . . . . . 2.6 m-20 -52.39 -21.84 4.04 Favored 'General case' 0 N--CA 1.466 0.334 0 C-N-CA 122.863 0.465 . . . . 0.0 111.455 176.324 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 8' ' ' ILE . . . . . 0.547 HD11 ' HB2' ' A' ' 90' ' ' TYR . 14.1 tt -58.37 -38.21 68.2 Favored 'Isoleucine or valine' 0 CA--C 1.532 0.28 0 CA-C-O 120.917 0.389 . . . . 0.0 111.089 177.166 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 9' ' ' CYS . . . . . 0.477 ' SG ' ' HH2' ' A' ' 54' ' ' TRP . 51.7 t -73.94 -30.49 62.58 Favored 'General case' 0 C--N 1.326 -0.442 0 CA-C-O 121.296 0.57 . . . . 0.0 110.206 -178.989 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 10' ' ' GLN . . . . . . . . . . . . . 69.9 mm-40 -74.16 -34.09 63.71 Favored 'General case' 0 C--N 1.326 -0.432 0 CA-C-N 115.748 -0.66 . . . . 0.0 110.749 -177.569 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 11' ' ' ALA . . . . . . . . . . . . . . . -64.45 -20.81 66.41 Favored 'General case' 0 C--N 1.33 -0.24 0 CA-C-N 115.844 -0.617 . . . . 0.0 111.734 -178.227 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 12' ' ' ALA . . . . . 0.541 ' HB1' HG21 ' A' ' 53' ' ' VAL . . . -64.99 -26.35 68.25 Favored 'General case' 0 C--N 1.33 -0.275 0 CA-C-O 120.851 0.358 . . . . 0.0 111.352 178.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 13' ' ' ASP . . . . . . . . . . . . . 32.5 t70 -87.21 -18.34 30.54 Favored 'General case' 0 C--N 1.328 -0.354 0 CA-C-O 121.071 0.462 . . . . 0.0 110.553 178.611 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 14' ' ' ALA . . . . . . . . . . . . . . . -74.72 -5.55 43.89 Favored 'General case' 0 C--N 1.327 -0.398 0 CA-C-N 116.058 -0.519 . . . . 0.0 111.532 -177.053 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 15' ' ' LEU . . . . . 0.552 HD22 ' HA ' ' A' ' 83' ' ' ILE . 54.0 mt -65.48 156.35 32.74 Favored 'General case' 0 C--N 1.326 -0.43 0 CA-C-N 116.202 -0.454 . . . . 0.0 110.179 178.2 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 16' ' ' LYS . . . . . 0.525 ' HG2' ' HB2' ' A' ' 82' ' ' ASN . 17.5 ptpt -140.31 147.37 39.79 Favored 'General case' 0 C--N 1.327 -0.412 0 CA-C-O 120.85 0.357 . . . . 0.0 110.768 179.374 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 17' ' ' GLY . . . . . . . . . . . . . . . 115.39 162.82 13.67 Favored Glycine 0 N--CA 1.447 -0.596 0 C-N-CA 120.801 -0.714 . . . . 0.0 111.867 -178.733 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 18' ' ' PHE . . . . . 0.484 ' HA ' ' HA ' ' A' ' 48' ' ' PRO . 81.2 m-85 -114.61 159.55 20.32 Favored 'General case' 0 C--N 1.322 -0.61 0 CA-C-O 120.795 0.331 . . . . 0.0 110.337 -179.079 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 19' ' ' VAL . . . . . 0.402 ' O ' ' HA ' ' A' ' 46' ' ' ILE . 15.2 t -119.44 131.66 71.44 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.689 0 N-CA-C 108.748 -0.834 . . . . 0.0 108.748 173.15 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 20' ' ' GLY . . . . . 0.439 ' HA2' ' O ' ' A' ' 45' ' ' SER . . . -142.0 149.63 21.34 Favored Glycine 0 N--CA 1.445 -0.762 0 C-N-CA 120.891 -0.671 . . . . 0.0 111.973 -176.91 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 21' ' ' PHE . . . . . 0.435 ' HA ' ' HA ' ' A' ' 28' ' ' TYR . 53.2 t80 -90.92 106.44 18.52 Favored 'General case' 0 C--N 1.321 -0.652 0 CA-C-O 120.872 0.367 . . . . 0.0 110.677 -177.578 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 22' ' ' ASN . . . . . . . . . . . . . 53.3 t-20 -79.15 106.92 11.53 Favored 'General case' 0 C--N 1.324 -0.513 0 N-CA-C 108.595 -0.891 . . . . 0.0 108.595 174.985 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 23' ' ' ARG . . . . . . . . . . . . . 11.5 ptp180 -75.21 -16.05 60.51 Favored 'General case' 0 C--N 1.324 -0.505 0 N-CA-C 112.163 0.431 . . . . 0.0 112.163 -174.972 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 24' ' ' LYS . . . . . . . . . . . . . 25.0 ttmm -64.84 -52.03 58.88 Favored 'General case' 0 C--N 1.326 -0.426 0 N-CA-C 109.967 -0.383 . . . . 0.0 109.967 179.457 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 25' ' ' THR . . . . . . . . . . . . . 10.2 t -89.02 -18.26 27.71 Favored 'General case' 0 C--N 1.327 -0.37 0 CA-C-N 116.042 -0.526 . . . . 0.0 110.034 175.776 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 26' ' ' GLY . . . . . . . . . . . . . . . 76.39 44.6 16.55 Favored Glycine 0 N--CA 1.449 -0.477 0 CA-C-N 115.835 -0.62 . . . . 0.0 112.535 177.883 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 27' ' ' ARG . . . . . . . . . . . . . 39.8 mtp85 -136.9 149.78 47.84 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-O 121.001 0.429 . . . . 0.0 111.036 -178.419 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 28' ' ' TYR . . . . . 0.435 ' HA ' ' HA ' ' A' ' 21' ' ' PHE . 7.2 t80 -94.24 101.68 13.67 Favored 'General case' 0 C--N 1.322 -0.588 0 N-CA-C 108.547 -0.909 . . . . 0.0 108.547 178.233 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 29' ' ' ILE . . . . . . . . . . . . . 2.6 pp -126.82 -180.0 3.1 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.366 0 N-CA-C 112.258 0.466 . . . . 0.0 112.258 -168.325 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 30' ' ' VAL . . . . . 0.544 HG22 ' HG3' ' A' ' 75' ' ' GLN . 34.5 m -83.16 141.5 14.8 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.4 0 CA-C-O 121.31 0.576 . . . . 0.0 111.72 -176.658 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 31' ' ' ARG . . . . . 0.481 ' HA ' ' NE ' ' A' ' 31' ' ' ARG . 2.5 mmp_? -136.53 132.73 35.64 Favored 'General case' 0 C--N 1.324 -0.542 0 CA-C-N 115.62 -0.718 . . . . 0.0 109.89 179.182 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 32' ' ' PHE . . . . . 0.53 ' CZ ' ' HG3' ' A' ' 80' ' ' ARG . 93.7 m-85 -111.75 26.75 10.31 Favored 'General case' 0 C--N 1.321 -0.655 0 CA-C-O 121.855 0.836 . . . . 0.0 109.236 177.63 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 33' ' ' SER . . . . . . . . . . . . . 34.3 t -152.34 114.44 4.44 Favored 'General case' 0 C--N 1.321 -0.668 0 CA-C-N 114.489 -1.232 . . . . 0.0 109.523 -179.51 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 34' ' ' GLU . . . . . . . . . . . . . 43.6 mt-10 -70.04 -29.48 66.51 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 121.451 0.643 . . . . 0.0 109.505 174.432 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 35' ' ' ASP . . . . . . . . . . . . . 7.4 m-20 -69.71 -12.71 61.85 Favored 'General case' 0 C--N 1.328 -0.343 0 CA-C-N 115.029 -0.987 . . . . 0.0 110.713 179.597 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 36' ' ' SER . . . . . . . . . . . . . 42.1 t -61.1 -32.41 72.09 Favored 'General case' 0 C--N 1.33 -0.277 0 CA-C-N 115.844 -0.617 . . . . 0.0 110.809 179.678 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 37' ' ' PHE . . . . . 0.623 ' HB2' HD11 ' A' ' 46' ' ' ILE . 56.2 m-85 -117.72 97.65 5.96 Favored 'General case' 0 C--N 1.327 -0.39 0 CA-C-O 121.133 0.492 . . . . 0.0 110.526 178.563 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 38' ' ' GLY . . . . . . . . . . . . . . . -124.53 14.39 7.7 Favored Glycine 0 N--CA 1.446 -0.64 0 CA-C-N 115.662 -0.699 . . . . 0.0 111.675 177.721 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 39' ' ' MET . . . . . . . . . . . . . 23.8 ptp -149.87 135.59 18.49 Favored 'General case' 0 C--N 1.326 -0.436 0 N-CA-C 110.022 -0.362 . . . . 0.0 110.022 179.15 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 40' ' ' ASP . . . . . . . . . . . . . 13.7 m-20 69.17 -56.55 0.54 Allowed 'General case' 0 N--CA 1.472 0.654 0 C-N-CA 123.727 0.811 . . . . 0.0 112.414 178.122 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 41' ' ' VAL . . . . . 0.415 ' HB ' ' HB3' ' A' ' 37' ' ' PHE . 30.4 t -76.15 125.52 35.94 Favored 'Isoleucine or valine' 0 C--N 1.319 -0.722 0 CA-C-N 116.263 -0.426 . . . . 0.0 110.516 -176.788 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 42' ' ' ALA . . . . . . . . . . . . . . . -74.82 148.63 40.12 Favored 'General case' 0 C--N 1.324 -0.516 0 CA-C-N 116.139 -0.482 . . . . 0.0 110.546 178.168 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 43' ' ' ASP . . . . . . . . . . . . . 8.1 p-10 -68.54 -14.12 62.79 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-O 121.167 0.508 . . . . 0.0 110.622 -179.254 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 44' ' ' ASP . . . . . . . . . . . . . 22.1 t70 -68.73 -23.17 64.31 Favored 'General case' 0 C--N 1.33 -0.268 0 CA-C-N 115.882 -0.599 . . . . 0.0 110.295 174.641 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 45' ' ' SER . . . . . 0.439 ' O ' ' HA2' ' A' ' 20' ' ' GLY . 35.2 t -80.83 -0.98 41.23 Favored 'General case' 0 C--N 1.329 -0.318 0 CA-C-N 115.888 -0.596 . . . . 0.0 110.233 178.834 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 46' ' ' ILE . . . . . 0.623 HD11 ' HB2' ' A' ' 37' ' ' PHE . 60.5 mt -111.89 103.28 15.21 Favored 'Isoleucine or valine' 0 N--CA 1.452 -0.342 0 CA-C-N 115.881 -0.599 . . . . 0.0 109.719 178.104 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 47' ' ' THR . . . . . . . . . . . . . 56.2 m -119.53 127.41 26.45 Favored Pre-proline 0 C--N 1.32 -0.689 0 CA-C-N 116.388 -0.369 . . . . 0.0 110.687 -178.542 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 48' ' ' PRO . . . . . 0.484 ' HA ' ' HA ' ' A' ' 18' ' ' PHE . 22.1 Cg_endo -62.19 135.73 56.18 Favored 'Trans proline' 0 C--N 1.344 0.323 0 C-N-CA 122.614 2.209 . . . . 0.0 111.405 175.966 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 49' ' ' THR . . . . . 0.547 ' HA ' ' HB3' ' A' ' 52' ' ' PHE . 9.9 t -63.8 -18.94 64.61 Favored 'General case' 0 C--N 1.328 -0.362 0 N-CA-C 111.926 0.343 . . . . 0.0 111.926 -174.149 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 50' ' ' SER . . . . . . . . . . . . . 1.4 m -64.57 -35.51 81.22 Favored 'General case' 0 C--N 1.328 -0.329 0 CA-C-O 121.021 0.439 . . . . 0.0 110.659 178.198 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 51' ' ' GLU . . . . . . . . . . . . . 42.0 tt0 -99.47 -22.25 15.59 Favored 'General case' 0 C--N 1.328 -0.335 0 CA-C-O 121.361 0.6 . . . . 0.0 110.174 -179.993 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 52' ' ' PHE . . . . . 0.547 ' HB3' ' HA ' ' A' ' 49' ' ' THR . 68.8 t80 -63.6 -24.0 67.61 Favored 'General case' 0 C--N 1.325 -0.463 0 CA-C-N 115.374 -0.83 . . . . 0.0 111.983 -175.146 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 53' ' ' VAL . . . . . 0.541 HG21 ' HB1' ' A' ' 12' ' ' ALA . 10.9 m -85.15 -2.19 7.33 Favored 'Isoleucine or valine' 0 C--N 1.326 -0.443 0 CA-C-O 120.73 0.3 . . . . 0.0 111.379 -177.366 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 54' ' ' TRP . . . . . 0.477 ' HH2' ' SG ' ' A' ' 9' ' ' CYS . 88.7 m95 -108.48 120.89 43.74 Favored 'General case' 0 C--N 1.324 -0.503 0 CA-C-O 121.006 0.432 . . . . 0.0 110.764 -178.582 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 55' ' ' SER . . . . . . . . . . . . . 49.5 m -112.05 128.67 56.26 Favored 'General case' 0 C--N 1.321 -0.653 0 CA-C-N 116.21 -0.45 . . . . 0.0 110.419 179.114 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 56' ' ' SER . . . . . 0.525 ' HA ' ' HG2' ' A' ' 62' ' ' MET . 19.8 m -70.54 115.73 10.05 Favored 'General case' 0 C--N 1.327 -0.396 0 CA-C-N 116.201 -0.454 . . . . 0.0 111.036 -178.069 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 57' ' ' VAL . . . . . 0.546 HG21 ' HG3' ' A' ' 63' ' ' ARG . 33.5 m -113.31 -1.04 9.54 Favored 'Isoleucine or valine' 0 C--N 1.327 -0.371 0 CA-C-O 121.371 0.605 . . . . 0.0 110.025 176.952 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 58' ' ' ARG . . . . . 0.465 ' HB3' ' HB ' ' A' ' 61' ' ' VAL . 9.8 tpt180 -148.62 -161.9 1.44 Allowed 'General case' 0 C--N 1.321 -0.666 0 N-CA-C 108.24 -1.022 . . . . 0.0 108.24 -178.406 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 59' ' ' ASP . . . . . . . . . . . . . 34.4 t70 -67.3 -62.85 1.22 Allowed 'General case' 0 C--N 1.326 -0.427 0 CA-C-O 120.772 0.32 . . . . 0.0 110.765 -179.008 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 60' ' ' ASP . . . . . . . . . . . . . 24.6 t70 -112.92 -22.6 10.54 Favored 'General case' 0 C--N 1.325 -0.478 0 CA-C-O 121.337 0.589 . . . . 0.0 109.842 176.798 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 61' ' ' VAL . . . . . 0.465 ' HB ' ' HB3' ' A' ' 58' ' ' ARG . 31.9 t -70.88 115.33 10.43 Favored 'Isoleucine or valine' 0 C--O 1.236 0.363 0 CA-C-N 115.427 -0.806 . . . . 0.0 111.119 -177.163 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 62' ' ' MET . . . . . 0.525 ' HG2' ' HA ' ' A' ' 56' ' ' SER . 68.4 mtm -114.06 142.3 46.36 Favored 'General case' 0 C--N 1.323 -0.573 0 CA-C-N 115.863 -0.608 . . . . 0.0 110.073 177.949 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 63' ' ' ARG . . . . . 0.546 ' HG3' HG21 ' A' ' 57' ' ' VAL . 26.8 mtm180 -101.83 161.89 13.32 Favored 'General case' 0 C--N 1.327 -0.404 0 CA-C-O 120.812 0.339 . . . . 0.0 110.562 178.484 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 64' ' ' LEU . . . . . . . . . . . . . 0.7 OUTLIER -67.42 112.28 4.54 Favored 'General case' 0 C--N 1.324 -0.541 0 CA-C-N 115.548 -0.751 . . . . 0.0 109.265 176.413 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 65' ' ' GLY . . . . . . . . . . . . . . . -78.83 95.66 1.39 Allowed Glycine 0 N--CA 1.445 -0.766 0 N-CA-C 111.215 -0.754 . . . . 0.0 111.215 179.118 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 66' ' ' ARG . . . . . . . . . . . . . 90.3 mtt180 -65.79 -15.75 63.16 Favored 'General case' 0 C--N 1.327 -0.377 0 CA-C-O 121.002 0.43 . . . . 0.0 111.134 -175.567 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 67' ' ' GLU . . . . . . . . . . . . . 41.6 mt-10 -66.0 -23.02 66.49 Favored 'General case' 0 C--N 1.324 -0.507 0 CA-C-N 115.93 -0.577 . . . . 0.0 111.142 176.289 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 68' ' ' GLN . . . . . 0.652 HE22 HD11 ' A' ' 72' ' ' LEU . 0.0 OUTLIER -58.5 -31.82 68.23 Favored 'General case' 0 CA--C 1.536 0.406 0 CA-C-N 116.337 -0.392 . . . . 0.0 110.876 -178.038 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 69' ' ' LEU . . . . . 0.573 HD12 ' HG3' ' A' ' 68' ' ' GLN . 6.3 mp -67.27 -33.57 75.58 Favored 'General case' 0 C--O 1.232 0.182 0 CA-C-O 120.937 0.398 . . . . 0.0 110.572 179.46 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 70' ' ' GLN . . . . . 0.581 ' O ' ' HG ' ' A' ' 73' ' ' LEU . 16.3 mm100 -67.55 -31.05 70.87 Favored 'General case' 0 C--N 1.327 -0.379 0 CA-C-N 116.05 -0.523 . . . . 0.0 110.386 -179.614 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 71' ' ' ILE . . . . . . . . . . . . . 63.6 mt -76.74 -40.68 32.68 Favored 'Isoleucine or valine' 0 C--N 1.32 -0.686 0 CA-C-N 116.168 -0.469 . . . . 0.0 111.103 176.383 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 72' ' ' LEU . . . . . 0.652 HD11 HE22 ' A' ' 68' ' ' GLN . 29.0 mt -63.48 -30.97 72.01 Favored 'General case' 0 N--CA 1.465 0.294 0 N-CA-C 112.355 0.502 . . . . 0.0 112.355 -176.837 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 73' ' ' LEU . . . . . 0.581 ' HG ' ' O ' ' A' ' 70' ' ' GLN . 4.5 pp -58.64 -22.52 56.83 Favored 'General case' 0 N--CA 1.465 0.29 0 N-CA-C 111.806 0.298 . . . . 0.0 111.806 -176.778 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 74' ' ' GLU . . . . . . . . . . . . . 15.4 mm-40 -58.36 -39.13 78.71 Favored 'General case' 0 C--N 1.331 -0.226 0 CA-C-O 120.766 0.317 . . . . 0.0 111.123 174.966 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 75' ' ' GLN . . . . . 0.544 ' HG3' HG22 ' A' ' 30' ' ' VAL . 14.8 mm100 -121.21 95.8 4.84 Favored 'General case' 0 C--N 1.327 -0.401 0 N-CA-C 109.716 -0.475 . . . . 0.0 109.716 178.674 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 76' ' ' ASN . . . . . . . . . . . . . 14.8 m120 -82.58 86.64 6.77 Favored 'General case' 0 C--N 1.324 -0.528 0 CA-C-N 116.225 -0.443 . . . . 0.0 111.147 -173.922 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 77' ' ' ILE . . . . . 0.484 ' HB ' ' CB ' ' A' ' 80' ' ' ARG . 1.1 pp -148.99 89.16 0.13 Allowed 'Isoleucine or valine' 0 C--N 1.325 -0.494 0 CA-C-O 121.388 0.613 . . . . 0.0 111.181 177.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 78' ' ' ASN . . . . . 0.648 ' HA ' HD13 ' A' ' 83' ' ' ILE . 52.8 m-80 -72.6 -35.16 67.83 Favored 'General case' 0 C--N 1.329 -0.287 0 CA-C-N 116.115 -0.493 . . . . 0.0 111.204 -175.85 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 79' ' ' GLU . . . . . . . . . . . . . 40.6 mt-10 -73.69 -28.97 62.01 Favored 'General case' 0 C--N 1.324 -0.506 0 CA-C-O 120.995 0.426 . . . . 0.0 110.215 -179.222 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 80' ' ' ARG . . . . . 0.53 ' HG3' ' CZ ' ' A' ' 32' ' ' PHE . 11.5 tpt180 -70.22 -52.91 19.61 Favored 'General case' 0 C--N 1.323 -0.555 0 CA-C-N 115.883 -0.599 . . . . 0.0 110.779 -179.499 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 81' ' ' LEU . . . . . 0.471 ' HB2' ' CD1' ' A' ' 83' ' ' ILE . 76.6 mt -83.74 -13.51 53.79 Favored 'General case' 0 C--N 1.326 -0.44 0 CA-C-N 115.828 -0.623 . . . . 0.0 111.847 -178.397 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 82' ' ' ASN . . . . . 0.525 ' HB2' ' HG2' ' A' ' 16' ' ' LYS . 0.9 OUTLIER 65.45 48.02 2.15 Favored 'General case' 0 N--CA 1.466 0.37 0 CA-C-N 116.191 -0.459 . . . . 0.0 111.17 -178.781 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 83' ' ' ILE . . . . . 0.648 HD13 ' HA ' ' A' ' 78' ' ' ASN . 4.0 mp -65.08 127.95 26.93 Favored 'Isoleucine or valine' 0 C--O 1.234 0.244 0 N-CA-C 109.81 -0.441 . . . . 0.0 109.81 176.694 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 84' ' ' GLY . . . . . 0.567 ' O ' ' HB2' ' A' ' 87' ' ' LEU . . . -62.88 145.91 50.12 Favored Glycine 0 N--CA 1.446 -0.663 0 CA-C-N 115.805 -0.634 . . . . 0.0 112.871 -177.898 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 85' ' ' GLU . . . . . 0.53 ' HB2' ' HD3' ' A' ' 86' ' ' PRO . 44.0 mt-10 -62.13 -45.24 90.96 Favored Pre-proline 0 C--N 1.321 -0.662 0 N-CA-C 111.797 0.295 . . . . 0.0 111.797 179.75 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 86' ' ' PRO . . . . . 0.557 ' HA ' HG22 ' A' ' 89' ' ' VAL . 52.6 Cg_exo -56.39 -20.9 34.62 Favored 'Trans proline' 0 C--N 1.357 0.996 0 C-N-CA 122.207 1.938 . . . . 0.0 112.612 173.741 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 87' ' ' LEU . . . . . 0.567 ' HB2' ' O ' ' A' ' 84' ' ' GLY . 2.7 mm? -76.04 -29.76 58.19 Favored 'General case' 0 C--N 1.325 -0.473 0 CA-C-O 120.941 0.4 . . . . 0.0 110.079 179.357 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 88' ' ' LEU . . . . . . . . . . . . . 10.7 mp -73.17 -43.23 61.8 Favored 'General case' 0 C--N 1.331 -0.199 0 CA-C-N 116.177 -0.465 . . . . 0.0 110.686 177.4 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 89' ' ' VAL . . . . . 0.557 HG22 ' HA ' ' A' ' 86' ' ' PRO . 29.0 m -69.4 -31.98 51.49 Favored 'Isoleucine or valine' 0 C--N 1.328 -0.338 0 CA-C-N 116.32 -0.4 . . . . 0.0 110.734 -179.612 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 90' ' ' TYR . . . . . 0.547 ' HB2' HD11 ' A' ' 8' ' ' ILE . 46.4 t80 -60.23 -28.06 67.71 Favored 'General case' 0 CA--C 1.53 0.194 0 CA-C-O 121.003 0.43 . . . . 0.0 110.493 176.996 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 91' ' ' LEU . . . . . 0.449 HD13 HD22 ' A' ' 69' ' ' LEU . 62.9 tp -70.35 -30.73 67.75 Favored 'General case' 0 C--N 1.332 -0.185 0 CA-C-N 115.943 -0.571 . . . . 0.0 110.682 178.423 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 92' ' ' ARG . . . . . 0.651 ' HE ' ' HA ' ' A' ' 92' ' ' ARG . 1.6 mmp_? -63.66 -55.49 23.07 Favored 'General case' 0 C--N 1.331 -0.213 0 CA-C-O 121.144 0.497 . . . . 0.0 109.772 177.995 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 93' ' ' ARG . . . . . 0.77 HH11 HG13 ' A' ' 3' ' ' ILE . 0.0 OUTLIER -157.34 145.53 19.24 Favored 'General case' 0 C--N 1.323 -0.585 0 CA-C-N 115.496 -0.774 . . . . 0.0 109.713 174.97 . . . . . . . . 3 3 . 1 . 020 nuclear nobuild full ' A' A ' 94' ' ' GLN . . . . . . . . . . . . . 1.1 pp0? -92.48 157.32 16.62 Favored 'General case' 0 C--N 1.321 -0.646 0 CA-C-O 120.844 0.354 . . . . 0.0 111.001 -178.396 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 95' ' ' ASP . . . . . . . . . . . . . 22.6 p-10 -96.76 -52.06 4.05 Favored 'General case' 0 C--N 1.322 -0.607 0 CA-C-N 116.017 -0.538 . . . . 0.0 110.346 -179.39 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 96' ' ' LEU . . . . . . . . . . . . . 6.1 mp -134.45 146.54 59.76 Favored Pre-proline 0 C--N 1.326 -0.452 0 CA-C-N 116.26 -0.427 . . . . 0.0 110.153 175.969 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 97' ' ' PRO . . . . . . . . . . . . . 7.5 Cg_exo -73.68 -27.6 12.54 Favored 'Trans proline' 0 N--CA 1.461 -0.43 0 C-N-CA 122.482 2.121 . . . . 0.0 111.213 173.106 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 98' ' ' GLU . . . . . . . . . . . . . 47.2 mm-40 -91.95 47.79 1.38 Allowed 'General case' 0 C--N 1.327 -0.392 0 CA-C-N 115.766 -0.652 . . . . 0.0 112.023 -176.513 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 99' ' ' ILE . . . . . . . . . . . . . 46.8 mm -71.6 104.06 1.48 Allowed 'Isoleucine or valine' 0 C--N 1.326 -0.441 0 N-CA-C 107.614 -1.254 . . . . 0.0 107.614 170.807 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 100' ' ' THR . . . . . 0.42 ' CG2' ' HG2' ' A' ' 63' ' ' ARG . 3.0 p -126.04 138.27 53.71 Favored 'General case' 0 C--N 1.318 -0.769 0 CA-C-N 115.906 -0.588 . . . . 0.0 112.387 -167.951 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 101' ' ' ALA . . . . . . . . . . . . . . . -121.48 125.64 47.33 Favored 'General case' 0 C--N 1.32 -0.702 0 CA-C-N 115.25 -0.886 . . . . 0.0 109.633 174.505 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 102' ' ' GLN . . . . . . . . . . . . . 12.2 pt20 -146.09 150.05 35.21 Favored 'General case' 0 C--N 1.321 -0.635 0 N-CA-C 109.345 -0.613 . . . . 0.0 109.345 177.706 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 103' ' ' ARG . . . . . . . . . . . . . 73.0 mtp180 -106.49 112.78 25.93 Favored 'General case' 0 C--N 1.318 -0.77 0 CA-C-O 121.198 0.523 . . . . 0.0 110.468 -178.719 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 104' ' ' GLN . . . . . . . . . . . . . 45.4 mt-30 -69.91 111.07 5.37 Favored 'General case' 0 C--N 1.324 -0.526 0 CA-C-N 115.291 -0.868 . . . . 0.0 110.182 -177.855 . . . . . . . . 1 1 . 1 . 020 nuclear nobuild full ' A' A ' 105' ' ' LEU . . . . . 0.879 HD23 ' H ' ' A' ' 105' ' ' LEU . 1.6 pt? -81.7 13.2 3.29 Favored 'General case' 0 C--N 1.324 -0.514 0 CA-C-N 115.828 -0.624 . . . . 0.0 111.804 -174.752 . . . . . . . . 2 2 . 1 . 020 nuclear nobuild full ' A' A ' 106' ' ' ARG . . . . . 0.656 ' HD3' ' HG ' ' A' ' 105' ' ' LEU . 0.0 OUTLIER . . . . . 0 C--O 1.248 1.004 0 CA-C-O 118.352 -0.832 . . . . 0.0 109.304 174.029 . . . . . . . . 2 2 . 1 stop_ save_